DOI: 10.1021/jp049274p. Thermal Properties of Impurity-Doped Clusters: Orbital-Free Molecular Dynamics Simulations of the Meltinglike Transition in Li1Na54 and Cs1Na54

Thermal Properties of Impurity-Doped Clusters: Orbital-Free Molecular Dynamics Simulations of the Meltinglike Transition in Li1Na54 and Cs1Na54

10.1021/jp049274p

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry B (316)

Bibliography

Aguado, A., GonzÃ¡lez, L. E., & LÃ³pez, J. M. (2004). Thermal Properties of Impurity-Doped Clusters:â Orbital-Free Molecular Dynamics Simulations of the Meltinglike Transition in Li1Na54 and Cs1Na54. The Journal of Physical Chemistry B, 108(31), 11722â11731.

Authors 3

Andrés Aguado (first)
Luis E. González (additional)
José M. López (additional)

References 81 Referenced 41

10.1021/jp981594j / J. Phys. Chem. B by Wang Z. L. (1998)
10.1103/PhysRevLett.79.99 / Phys. Rev. Lett. by Schmidt M. (1997)
10.1038/30415 / Nature by Schmidt M. (1998)
{'key': 'jp049274pb00002/jp049274pb00002_3', 'first-page': '1', 'volume': '9', 'author': 'Kusche R.', 'year': '1999', 'journal-title': 'Eur. Phys. J. D'} / Eur. Phys. J. D by Kusche R. (1999)
{'key': 'jp049274pb00002/jp049274pb00002_4', 'first-page': '327', 'volume': '3', 'author': 'Schmidt M.', 'year': '2002', 'journal-title': 'Phys.'} / Phys. by Schmidt M. (2002)
10.1103/PhysRevLett.86.999 / Phys. Rev. Lett. by Lee Y. J. (2001)
10.1103/PhysRevLett.90.103401 / Phys. Rev. Lett. by Schmidt M. (2003)
10.1103/PhysRevLett.85.2530 / Phys. Rev. Lett. by Shvartsburg A. A. (2000)
10.1103/PhysRevLett.91.215508 / Phys. Rev. Lett. by Breaux G. A. (2003)
10.1103/PhysRevB.67.235413 / Phys. Rev. B by Joshi K. (2003)
10.1103/PhysRevLett.90.185502 / Phys. Rev. Lett. by Banhart F. (2003)
10.1103/PhysRevLett.86.1191 / Phys. Rev. Lett. by Schmidt M. (2001)
10.1103/PhysRevB.67.165401 / Phys. Rev. B by Reyes-Nava J. A. (2003)
10.1021/jp022510g / J. Phys. Chem. B by Chushak Y. G. (2003)
10.1063/1.470831 / J. Chem. Phys. by López M. J. (1996)
10.1021/jp0204206 / J. Phys. Chem. B by Huang S. (2002)
10.1103/PhysRevA.65.043203 / Phys. Rev. A by Joshi K. (2002)
10.1063/1.1626538 / J. Chem. Phys. by Joshi K. (2003)
10.1002/qua.1524 / Int. J. Quantum Chem. by Mainardi D. S. (2001)
10.1103/PhysRevLett.55.2471 / Phys. Rev. Lett. by Car R. (1985)
10.1103/RevModPhys.64.1045 / Rev. Mod. Phys. by Payne M. C. (1992)
10.1103/PhysRev.140.A1133 / J. Phys. Rev. by Kohn W. (1965)
10.1103/PhysRev.136.B864 / Phys. Rev. by Hohenberg P. (1964)
10.1103/PhysRevB.32.7868 / Phys. Rev. B by Chacón E. (1985)
10.1103/PhysRevB.53.9509 / Phys. Rev. B by García-González P. (1996)
10.1103/PhysRevA.54.1897 / Phys. Rev. A by García-González P. (1996)
10.1103/PhysRevB.57.4857 / Phys. Rev. B by García-González P. (1998)
10.1103/PhysRevA.57.4192 / Phys. Rev. A by García-González P. (1998)
(a) Pearson, M.; Smargiassi, E.; Madden, P. A.J. Phys. Condens. Matter1993,5, 3221. (10.1088/0953-8984/5/19/019)
10.1103/PhysRevB.49.5220 / Phys. Rev. B by Smargiassi E. (1994)
(c) Foley, M.; Smargiassi, E.; Madden, P. A.J. Phys. Condens.Matter1994,6, 5231. (10.1088/0953-8984/6/28/002)
10.1103/PhysRevB.51.117 / Phys. Rev. B by Smargiassi E. (1995)
10.1103/PhysRevB.51.129 / Phys. Rev. B by Smargiassi E. (1995)
10.1103/PhysRevB.53.10589 / Phys. Rev. B by Foley M. (1996)
10.1103/PhysRevB.55.4941 / Phys. Rev. B by Jesson B. J. (1997)
10.1103/PhysRevB.58.6124 / Phys. Rev. B by Anta J. A. (1998)
10.1063/1.478679 / J. Chem. Phys. by Govind N. (1999)
10.1103/PhysRevB.60.16350 / Phys. Rev. B by Wang Y. A. (1999)
10.1016/S0010-4655(00)00064-3 / Comput. Phys. Comm. by Watson S. C. (2000)
10.1063/1.1389473 / J. Chem. Phys. by González D. J. (2001)
(a) Shah, V.; Nehete, D.; Kanhere, D. G.J. Phys. Condens. Matter1994,6, 10773. (10.1088/0953-8984/6/49/018)
10.1103/PhysRevB.53.2126 / Phys. Rev. B by Nehete D. (1996)
(c) Shah, V.; Kanhere, D. G.J. Phys. Condens. Matter1996,8, L253. (10.1088/0953-8984/8/17/001)
(d) Shah, V.; Kanhere, D. G.; Majumber, C.; Das, G. P.J. Phys. Condens. Matter1997,9, 2165. (10.1088/0953-8984/9/10/006)
(e) Vichare, A.; Kanhere, D. G.J. Phys. Condens. Matter1998,10, 3309. (10.1088/0953-8984/10/15/008)
10.1007/s100530050188 / Eur. Phys. J. D by Vichare A. (1998)
10.1103/PhysRevA.57.4522 / Phys. Rev. A by Dhavale A. (1998)
10.1103/PhysRevB.51.7101 / Phys. Rev. B by Govind N. (1995)
10.1103/PhysRevB.58.13465 / Phys. Rev. B by Wang Y. A. (1998)
10.1103/PhysRevB.55.15856 / Phys. Rev. B by Blaise P. (1997)
10.1063/1.479899 / J. Chem. Phys. by Aguado A. (1999)
10.1021/jp0018504 / J. Phys. Chem. B by Aguado A. (2001)
10.1007/s100530170169 / Eur. Phys. J. D by Aguado A. (2001)
10.1103/PhysRevB.63.115404 / Phys. Rev. B by Aguado A. (2001)
10.1103/PhysRevA.62.062510 / Phys. Rev. A by Karasiev V. V. (2000)
10.1103/PhysRevA.63.052501 / Phys. Rev. A by Wang B. (2001)
{'key': 'jp049274pb00033/jp049274pb00033_1', 'volume-title': 'Plenum Press:\u2009 New York', 'author': 'Theory', 'year': '1983'} / Plenum Press: New York by Theory (1983)
10.1103/PhysRevA.34.4575 / Phys. Rev. A by Yang W. (1986)
10.1016/0375-9601(92)91058-Y / Phys. Lett. A by Perdew J. P. (1992)
10.1103/PhysRevB.23.5048 / Phys. Rev. B by Perdew J. P. (1981)
10.1103/PhysRevLett.45.566 / Phys. Rev. Lett. by Ceperley D. (1980)
10.1103/PhysRevB.51.14001 / Phys. Rev. B by Fiolhais C. (1995)
10.1103/PhysRevB.53.13193 / Phys. Rev. B by Fiolhais C. (1996)
Nogueira, F.; Fiolhais, C.; He, J.; Perdew, J. P.; Rubio, A.J. Phys. Condens. Matter1996,8, 287. (10.1088/0953-8984/8/3/008)
10.1103/PhysRev.159.98 / Phys. Rev. by Verlet L. (1967)
10.1063/1.442716 / J. Chem. Phys. by Swope W. C. (1982)
10.1126/science.285.5432.1368 / Science by Wales D. J. (1999)
10.1039/b305686d / Dalton Trans. by Johnston R. L. (2003)
Soler, J. M.; Artacho, E.; Gale, J. D.; García, A.; Junquera, J.; Ordejón, P.; Sánchez-Portal, D.J. Phys. Condens. Matter2002,14, 2475. (10.1088/0953-8984/14/11/302)
10.1103/PhysRevLett.43.1494 / Phys. Rev. Lett. by Hamann D. R. (1979)
10.1103/PhysRevLett.48.1425 / Phys. Rev. Lett. by Kleinman L. (1982)
10.1103/PhysRevB.66.205101 / Phys. Rev. B by Anglada E. (2002)
10.1007/978-3-642-97330-7 / Microcluster Physics by Sugano S. (1991)
10.1063/1.475134 / J. Chem. Phys. by Bonacić-Koutecký V. (1997)
10.1016/S0009-2614(97)01019-1 / Chem. Phys. Lett. by Reichardt D. (1997)
10.1103/PhysRevB.45.1988 / Phys. Rev. B by Bulgac A. (1992)
10.1103/PhysRevB.62.7602 / Phys. Rev. B by Kümmel S. (2000)
10.1103/PhysRevLett.92.085501 / J. Phys. Rev. Lett. by González D. J. (2004)
10.1103/PhysRevLett.47.1844 / Phys. Rev. Lett. by D'Evelyn M. P. (1981)
10.1063/1.476615 / J. Chem. Phys. by Chekmarev D. S. (1998)
10.1103/PhysRevLett.87.166101 / Phys. Rev. Lett. by Chacón E. (2001)

Dates

Type	When
Created	21 years, 1 month ago (July 29, 2004, 1:03 a.m.)
Deposited	2 years, 5 months ago (March 14, 2023, 1:47 p.m.)
Indexed	1 year, 10 months ago (Oct. 23, 2023, 11:48 a.m.)
Issued	21 years, 1 month ago (July 1, 2004)
Published	21 years, 1 month ago (July 1, 2004)
Published Online	21 years, 1 month ago (July 1, 2004)
Published Print	21 years ago (Aug. 5, 2004)

Funders 0

None

BibTeX

@article{Aguado_2004, title={Thermal Properties of Impurity-Doped Clusters: Orbital-Free Molecular Dynamics Simulations of the Meltinglike Transition in Li1Na54 and Cs1Na54}, volume={108}, ISSN={1520-5207}, url={http://dx.doi.org/10.1021/jp049274p}, DOI={10.1021/jp049274p}, number={31}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Aguado, Andrés and González, Luis E. and López, José M.}, year={2004}, month=jul, pages={11722–11731} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2023,
        10,
        23
      ]
    ],
    "date-time": "2023-10-23T15:48:16Z",
    "timestamp": 1698076096890
  },
  "reference-count": 81,
  "publisher": "American Chemical Society (ACS)",
  "issue": "31",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2004,
        8,
        5
      ]
    ]
  },
  "DOI": "10.1021/jp049274p",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        7,
        29
      ]
    ],
    "date-time": "2004-07-29T05:03:50Z",
    "timestamp": 1091077430000
  },
  "page": "11722-11731",
  "source": "Crossref",
  "is-referenced-by-count": 41,
  "title": "Thermal Properties of Impurity-Doped Clusters:\u2009 Orbital-Free Molecular Dynamics Simulations of the Meltinglike Transition in Li<sub>1</sub>Na<sub>54</sub> and Cs<sub>1</sub>Na<sub>54</sub>",
  "prefix": "10.1021",
  "volume": "108",
  "author": [
    {
      "given": "Andr\u00e9s",
      "family": "Aguado",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Departamento de F\u00edsica Te\u00f3rica, Universidad de Valladolid, Valladolid 47011, Spain"
        }
      ]
    },
    {
      "given": "Luis E.",
      "family": "Gonz\u00e1lez",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Departamento de F\u00edsica Te\u00f3rica, Universidad de Valladolid, Valladolid 47011, Spain"
        }
      ]
    },
    {
      "given": "Jos\u00e9 M.",
      "family": "L\u00f3pez",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Departamento de F\u00edsica Te\u00f3rica, Universidad de Valladolid, Valladolid 47011, Spain"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2004,
        7,
        1
      ]
    ]
  },
  "reference": [
    {
      "key": "jp049274pb00001/jp049274pb00001_1",
      "doi-asserted-by": "crossref",
      "first-page": "6145",
      "DOI": "10.1021/jp981594j",
      "volume": "102",
      "author": "Wang Z. L.",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp049274pb00002/jp049274pb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "99",
      "DOI": "10.1103/PhysRevLett.79.99",
      "volume": "79",
      "author": "Schmidt M.",
      "year": "1997",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00002/jp049274pb00002_2",
      "doi-asserted-by": "crossref",
      "first-page": "238",
      "DOI": "10.1038/30415",
      "volume": "393",
      "author": "Schmidt M.",
      "year": "1998",
      "journal-title": "Nature"
    },
    {
      "key": "jp049274pb00002/jp049274pb00002_3",
      "first-page": "1",
      "volume": "9",
      "author": "Kusche R.",
      "year": "1999",
      "journal-title": "Eur. Phys. J. D"
    },
    {
      "key": "jp049274pb00002/jp049274pb00002_4",
      "first-page": "327",
      "volume": "3",
      "author": "Schmidt M.",
      "year": "2002",
      "journal-title": "Phys."
    },
    {
      "key": "jp049274pb00003/jp049274pb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "999",
      "DOI": "10.1103/PhysRevLett.86.999",
      "volume": "86",
      "author": "Lee Y. J.",
      "year": "2001",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00004/jp049274pb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "103401",
      "DOI": "10.1103/PhysRevLett.90.103401",
      "volume": "90",
      "author": "Schmidt M.",
      "year": "2003",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00005/jp049274pb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "2530",
      "DOI": "10.1103/PhysRevLett.85.2530",
      "volume": "85",
      "author": "Shvartsburg A. A.",
      "year": "2000",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00006/jp049274pb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "215508",
      "DOI": "10.1103/PhysRevLett.91.215508",
      "volume": "91",
      "author": "Breaux G. A.",
      "year": "2003",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00007/jp049274pb00007_1",
      "doi-asserted-by": "crossref",
      "first-page": "235413",
      "DOI": "10.1103/PhysRevB.67.235413",
      "volume": "67",
      "author": "Joshi K.",
      "year": "2003",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00008/jp049274pb00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "185502",
      "DOI": "10.1103/PhysRevLett.90.185502",
      "volume": "90",
      "author": "Banhart F.",
      "year": "2003",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00009/jp049274pb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "1191",
      "DOI": "10.1103/PhysRevLett.86.1191",
      "volume": "86",
      "author": "Schmidt M.",
      "year": "2001",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00010/jp049274pb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "165401",
      "DOI": "10.1103/PhysRevB.67.165401",
      "volume": "67",
      "author": "Reyes-Nava J. A.",
      "year": "2003",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00011/jp049274pb00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "3747",
      "DOI": "10.1021/jp022510g",
      "volume": "107",
      "author": "Chushak Y. G.",
      "year": "2003",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp049274pb00012/jp049274pb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "1056",
      "DOI": "10.1063/1.470831",
      "volume": "104",
      "author": "L\u00f3pez M. J.",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00013/jp049274pb00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "7225",
      "DOI": "10.1021/jp0204206",
      "volume": "106",
      "author": "Huang S.",
      "year": "2002",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp049274pb00014/jp049274pb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "043203",
      "DOI": "10.1103/PhysRevA.65.043203",
      "volume": "65",
      "author": "Joshi K.",
      "year": "2002",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp049274pb00015/jp049274pb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "12301",
      "DOI": "10.1063/1.1626538",
      "volume": "119",
      "author": "Joshi K.",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00016/jp049274pb00016_1",
      "doi-asserted-by": "crossref",
      "first-page": "580",
      "DOI": "10.1002/qua.1524",
      "volume": "85",
      "author": "Mainardi D. S.",
      "year": "2001",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "jp049274pb00017/jp049274pb00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "2471",
      "DOI": "10.1103/PhysRevLett.55.2471",
      "volume": "55",
      "author": "Car R.",
      "year": "1985",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00017/jp049274pb00017_2",
      "doi-asserted-by": "crossref",
      "first-page": "1045",
      "DOI": "10.1103/RevModPhys.64.1045",
      "volume": "64",
      "author": "Payne M. C.",
      "year": "1992",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "jp049274pb00018/jp049274pb00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "1133A",
      "DOI": "10.1103/PhysRev.140.A1133",
      "volume": "140",
      "author": "Kohn W.",
      "year": "1965",
      "journal-title": "J. Phys. Rev."
    },
    {
      "key": "jp049274pb00019/jp049274pb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "864B",
      "DOI": "10.1103/PhysRev.136.B864",
      "volume": "136",
      "author": "Hohenberg P.",
      "year": "1964",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "jp049274pb00020/jp049274pb00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "7868",
      "DOI": "10.1103/PhysRevB.32.7868",
      "volume": "32",
      "author": "Chac\u00f3n E.",
      "year": "1985",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00020/jp049274pb00020_2",
      "doi-asserted-by": "crossref",
      "first-page": "9509",
      "DOI": "10.1103/PhysRevB.53.9509",
      "volume": "53",
      "author": "Garc\u00eda-Gonz\u00e1lez P.",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00020/jp049274pb00020_3",
      "doi-asserted-by": "crossref",
      "first-page": "1897",
      "DOI": "10.1103/PhysRevA.54.1897",
      "volume": "54",
      "author": "Garc\u00eda-Gonz\u00e1lez P.",
      "year": "1996",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp049274pb00020/jp049274pb00020_4",
      "doi-asserted-by": "crossref",
      "first-page": "4857",
      "DOI": "10.1103/PhysRevB.57.4857",
      "volume": "57",
      "author": "Garc\u00eda-Gonz\u00e1lez P.",
      "year": "1998",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00020/jp049274pb00020_5",
      "doi-asserted-by": "crossref",
      "first-page": "4192",
      "DOI": "10.1103/PhysRevA.57.4192",
      "volume": "57",
      "author": "Garc\u00eda-Gonz\u00e1lez P.",
      "year": "1998",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_1",
      "doi-asserted-by": "crossref",
      "unstructured": "(a) Pearson, M.; Smargiassi, E.; Madden, P. A.J. Phys.\u2009 Condens. Matter1993,5, 3221.",
      "DOI": "10.1088/0953-8984/5/19/019"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_2",
      "doi-asserted-by": "crossref",
      "first-page": "5220",
      "DOI": "10.1103/PhysRevB.49.5220",
      "volume": "49",
      "author": "Smargiassi E.",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_3",
      "doi-asserted-by": "crossref",
      "unstructured": "(c) Foley, M.; Smargiassi, E.; Madden, P. A.J. Phys.\u2009 Condens.Matter1994,6, 5231.",
      "DOI": "10.1088/0953-8984/6/28/002"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_4",
      "doi-asserted-by": "crossref",
      "first-page": "117",
      "DOI": "10.1103/PhysRevB.51.117",
      "volume": "51",
      "author": "Smargiassi E.",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_5",
      "doi-asserted-by": "crossref",
      "first-page": "129",
      "DOI": "10.1103/PhysRevB.51.129",
      "volume": "51",
      "author": "Smargiassi E.",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_6",
      "doi-asserted-by": "crossref",
      "first-page": "10589",
      "DOI": "10.1103/PhysRevB.53.10589",
      "volume": "53",
      "author": "Foley M.",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_7",
      "doi-asserted-by": "crossref",
      "first-page": "4941",
      "DOI": "10.1103/PhysRevB.55.4941",
      "volume": "55",
      "author": "Jesson B. J.",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00021/jp049274pb00021_8",
      "doi-asserted-by": "crossref",
      "first-page": "6124",
      "DOI": "10.1103/PhysRevB.58.6124",
      "volume": "58",
      "author": "Anta J. A.",
      "year": "1998",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00022/jp049274pb00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "7677",
      "DOI": "10.1063/1.478679",
      "volume": "110",
      "author": "Govind N.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00022/jp049274pb00022_2",
      "doi-asserted-by": "crossref",
      "first-page": "16350",
      "DOI": "10.1103/PhysRevB.60.16350",
      "volume": "60",
      "author": "Wang Y. A.",
      "year": "1999",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00022/jp049274pb00022_3",
      "doi-asserted-by": "crossref",
      "first-page": "67",
      "DOI": "10.1016/S0010-4655(00)00064-3",
      "volume": "128",
      "author": "Watson S. C.",
      "year": "2000",
      "journal-title": "Comput. Phys. Comm."
    },
    {
      "key": "jp049274pb00023/jp049274pb00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "2373",
      "DOI": "10.1063/1.1389473",
      "volume": "115",
      "author": "Gonz\u00e1lez D. J.",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00024/jp049274pb00024_1",
      "doi-asserted-by": "crossref",
      "unstructured": "(a) Shah, V.; Nehete, D.; Kanhere, D. G.J. Phys.\u2009 Condens. Matter1994,6, 10773.",
      "DOI": "10.1088/0953-8984/6/49/018"
    },
    {
      "key": "jp049274pb00024/jp049274pb00024_2",
      "doi-asserted-by": "crossref",
      "first-page": "2126",
      "DOI": "10.1103/PhysRevB.53.2126",
      "volume": "53",
      "author": "Nehete D.",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00024/jp049274pb00024_3",
      "doi-asserted-by": "crossref",
      "unstructured": "(c) Shah, V.; Kanhere, D. G.J. Phys.\u2009 Condens. Matter1996,8, L253.",
      "DOI": "10.1088/0953-8984/8/17/001"
    },
    {
      "key": "jp049274pb00024/jp049274pb00024_4",
      "doi-asserted-by": "crossref",
      "unstructured": "(d) Shah, V.; Kanhere, D. G.; Majumber, C.; Das, G. P.J. Phys.\u2009Condens. Matter1997,9, 2165.",
      "DOI": "10.1088/0953-8984/9/10/006"
    },
    {
      "key": "jp049274pb00024/jp049274pb00024_5",
      "doi-asserted-by": "crossref",
      "unstructured": "(e) Vichare, A.; Kanhere, D. G.J. Phys.\u2009Condens. Matter1998,10, 3309.",
      "DOI": "10.1088/0953-8984/10/15/008"
    },
    {
      "key": "jp049274pb00024/jp049274pb00024_6",
      "doi-asserted-by": "crossref",
      "first-page": "89",
      "DOI": "10.1007/s100530050188",
      "volume": "4",
      "author": "Vichare A.",
      "year": "1998",
      "journal-title": "Eur. Phys. J. D"
    },
    {
      "key": "jp049274pb00024/jp049274pb00024_7",
      "doi-asserted-by": "crossref",
      "first-page": "4522",
      "DOI": "10.1103/PhysRevA.57.4522",
      "volume": "57",
      "author": "Dhavale A.",
      "year": "1998",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp049274pb00025/jp049274pb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "7101",
      "DOI": "10.1103/PhysRevB.51.7101",
      "volume": "51",
      "author": "Govind N.",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00025/jp049274pb00025_2",
      "doi-asserted-by": "crossref",
      "first-page": "13465",
      "DOI": "10.1103/PhysRevB.58.13465",
      "volume": "58",
      "author": "Wang Y. A.",
      "year": "1998",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00026/jp049274pb00026_1",
      "doi-asserted-by": "crossref",
      "first-page": "15856",
      "DOI": "10.1103/PhysRevB.55.15856",
      "volume": "55",
      "author": "Blaise P.",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00027/jp049274pb00027_1",
      "doi-asserted-by": "crossref",
      "first-page": "6026",
      "DOI": "10.1063/1.479899",
      "volume": "111",
      "author": "Aguado A.",
      "year": "1999",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00028/jp049274pb00028_1",
      "doi-asserted-by": "crossref",
      "first-page": "2386",
      "DOI": "10.1021/jp0018504",
      "volume": "105",
      "author": "Aguado A.",
      "year": "2001",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp049274pb00029/jp049274pb00029_1",
      "doi-asserted-by": "crossref",
      "first-page": "221",
      "DOI": "10.1007/s100530170169",
      "volume": "15",
      "author": "Aguado A.",
      "year": "2001",
      "journal-title": "Eur. Phys. J. D"
    },
    {
      "key": "jp049274pb00030/jp049274pb00030_1",
      "doi-asserted-by": "crossref",
      "first-page": "115404",
      "DOI": "10.1103/PhysRevB.63.115404",
      "volume": "63",
      "author": "Aguado A.",
      "year": "2001",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00031/jp049274pb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "062510",
      "DOI": "10.1103/PhysRevA.62.062510",
      "volume": "62",
      "author": "Karasiev V. V.",
      "year": "2000",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp049274pb00032/jp049274pb00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "052501",
      "DOI": "10.1103/PhysRevA.63.052501",
      "volume": "63",
      "author": "Wang B.",
      "year": "2001",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp049274pb00033/jp049274pb00033_1",
      "volume-title": "Plenum Press:\u2009 New York",
      "author": "Theory",
      "year": "1983"
    },
    {
      "key": "jp049274pb00034/jp049274pb00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "4575",
      "DOI": "10.1103/PhysRevA.34.4575",
      "volume": "34",
      "author": "Yang W.",
      "year": "1986",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "jp049274pb00035/jp049274pb00035_1",
      "doi-asserted-by": "crossref",
      "first-page": "79",
      "DOI": "10.1016/0375-9601(92)91058-Y",
      "volume": "165",
      "author": "Perdew J. P.",
      "year": "1992",
      "journal-title": "Phys. Lett. A"
    },
    {
      "key": "jp049274pb00036/jp049274pb00036_1",
      "doi-asserted-by": "crossref",
      "first-page": "5048",
      "DOI": "10.1103/PhysRevB.23.5048",
      "volume": "23",
      "author": "Perdew J. P.",
      "year": "1981",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00037/jp049274pb00037_1",
      "doi-asserted-by": "crossref",
      "first-page": "566",
      "DOI": "10.1103/PhysRevLett.45.566",
      "volume": "45",
      "author": "Ceperley D.",
      "year": "1980",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00038/jp049274pb00038_1",
      "doi-asserted-by": "crossref",
      "first-page": "14001",
      "DOI": "10.1103/PhysRevB.51.14001",
      "volume": "51",
      "author": "Fiolhais C.",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00038/jp049274pb00038_2",
      "doi-asserted-by": "crossref",
      "first-page": "13193",
      "DOI": "10.1103/PhysRevB.53.13193",
      "volume": "53",
      "author": "Fiolhais C.",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00039/jp049274pb00039_1",
      "doi-asserted-by": "crossref",
      "unstructured": "Nogueira, F.; Fiolhais, C.; He, J.; Perdew, J. P.; Rubio, A.J. Phys.\u2009Condens. Matter1996,8, 287.",
      "DOI": "10.1088/0953-8984/8/3/008"
    },
    {
      "key": "jp049274pb00040/jp049274pb00040_1",
      "doi-asserted-by": "crossref",
      "first-page": "98",
      "DOI": "10.1103/PhysRev.159.98",
      "volume": "159",
      "author": "Verlet L.",
      "year": "1967",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "jp049274pb00040/jp049274pb00040_2",
      "doi-asserted-by": "crossref",
      "first-page": "637",
      "DOI": "10.1063/1.442716",
      "volume": "76",
      "author": "Swope W. C.",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00041/jp049274pb00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "1368",
      "DOI": "10.1126/science.285.5432.1368",
      "volume": "285",
      "author": "Wales D. J.",
      "year": "1999",
      "journal-title": "Science"
    },
    {
      "key": "jp049274pb00042/jp049274pb00042_1",
      "doi-asserted-by": "crossref",
      "first-page": "4193",
      "DOI": "10.1039/b305686d",
      "volume": "22",
      "author": "Johnston R. L.",
      "year": "2003",
      "journal-title": "Dalton Trans."
    },
    {
      "key": "jp049274pb00043/jp049274pb00043_1",
      "doi-asserted-by": "crossref",
      "unstructured": "Soler, J. M.; Artacho, E.; Gale, J. D.; Garc\u00eda, A.; Junquera, J.; Ordej\u00f3n, P.; S\u00e1nchez-Portal, D.J. Phys.\u2009 Condens. Matter2002,14, 2475.",
      "DOI": "10.1088/0953-8984/14/11/302"
    },
    {
      "key": "jp049274pb00044/jp049274pb00044_1",
      "doi-asserted-by": "crossref",
      "first-page": "1494",
      "DOI": "10.1103/PhysRevLett.43.1494",
      "volume": "43",
      "author": "Hamann D. R.",
      "year": "1979",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00045/jp049274pb00045_1",
      "doi-asserted-by": "crossref",
      "first-page": "1425",
      "DOI": "10.1103/PhysRevLett.48.1425",
      "volume": "48",
      "author": "Kleinman L.",
      "year": "1982",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00046/jp049274pb00046_1",
      "doi-asserted-by": "crossref",
      "first-page": "205101",
      "DOI": "10.1103/PhysRevB.66.205101",
      "volume": "66",
      "author": "Anglada E.",
      "year": "2002",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00047/jp049274pb00047_1",
      "doi-asserted-by": "crossref",
      "DOI": "10.1007/978-3-642-97330-7",
      "volume-title": "Microcluster Physics",
      "author": "Sugano S.",
      "year": "1991"
    },
    {
      "key": "jp049274pb00048/jp049274pb00048_1",
      "doi-asserted-by": "crossref",
      "first-page": "6321",
      "DOI": "10.1063/1.475134",
      "volume": "107",
      "author": "Bonaci\u0107-Kouteck\u00fd V.",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00048/jp049274pb00048_2",
      "doi-asserted-by": "crossref",
      "first-page": "129",
      "DOI": "10.1016/S0009-2614(97)01019-1",
      "volume": "279",
      "author": "Reichardt D.",
      "year": "1997",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp049274pb00049/jp049274pb00049_1",
      "doi-asserted-by": "crossref",
      "first-page": "1988",
      "DOI": "10.1103/PhysRevB.45.1988",
      "volume": "45",
      "author": "Bulgac A.",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00050/jp049274pb00050_1",
      "doi-asserted-by": "crossref",
      "first-page": "7602",
      "DOI": "10.1103/PhysRevB.62.7602",
      "volume": "62",
      "author": "K\u00fcmmel S.",
      "year": "2000",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "jp049274pb00051/jp049274pb00051_1",
      "doi-asserted-by": "crossref",
      "first-page": "085501",
      "DOI": "10.1103/PhysRevLett.92.085501",
      "volume": "92",
      "author": "Gonz\u00e1lez D. J.",
      "year": "2004",
      "journal-title": "J. Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00052/jp049274pb00052_1",
      "doi-asserted-by": "crossref",
      "first-page": "1844",
      "DOI": "10.1103/PhysRevLett.47.1844",
      "volume": "47",
      "author": "D'Evelyn M. P.",
      "year": "1981",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp049274pb00053/jp049274pb00053_1",
      "doi-asserted-by": "crossref",
      "first-page": "768",
      "DOI": "10.1063/1.476615",
      "volume": "109",
      "author": "Chekmarev D. S.",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp049274pb00054/jp049274pb00054_1",
      "doi-asserted-by": "crossref",
      "first-page": "166101",
      "DOI": "10.1103/PhysRevLett.87.166101",
      "volume": "87",
      "author": "Chac\u00f3n E.",
      "year": "2001",
      "journal-title": "Phys. Rev. Lett."
    }
  ],
  "container-title": "The Journal of Physical Chemistry B",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp049274p",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        3,
        14
      ]
    ],
    "date-time": "2023-03-14T17:47:04Z",
    "timestamp": 1678816024000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp049274p"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2004,
        7,
        1
      ]
    ]
  },
  "references-count": 81,
  "journal-issue": {
    "issue": "31",
    "published-print": {
      "date-parts": [
        [
          2004,
          8,
          5
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp049274p"
  ],
  "URL": "http://dx.doi.org/10.1021/jp049274p",
  "relation": {},
  "ISSN": [
    "1520-6106",
    "1520-5207"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. B",
  "published": {
    "date-parts": [
      [
        2004,
        7,
        1
      ]
    ]
  }
}