DOI: 10.1039/b915967c. Understanding the hcp anisotropy in Cd and Zn: the role of electron correlation in determining the potential energy surface

Understanding the hcp anisotropy in Cd and Zn: the role of electron correlation in determining the potential energy surface

10.1039/b915967c

Crossref journal-article

Royal Society of Chemistry (RSC)

Phys. Chem. Chem. Phys. (292)

Bibliography

Gaston, N., Andrae, D., Paulus, B., Wedig, U., & Jansen, M. (2010). Understanding the hcp anisotropy in Cd and Zn: the role of electron correlation in determining the potential energy surface. Phys. Chem. Chem. Phys., 12(3), 681â687.

Authors 5

Nicola Gaston (first)
Dirk Andrae (additional)
Beate Paulus (additional)
Ulrich Wedig (additional)
Martin Jansen (additional)

References 37 Referenced 25

10.1103/PhysRevB.56.5170 / Phys. Rev. B: Condens. Matter by Takemura (1997)
10.1016/0022-3697(65)90073-9 / J. Phys. Chem. Solids by Lynch (1965)
10.1103/PhysRevLett.75.1807 / Phys. Rev. Lett. by Takemura (1995)
10.1103/PhysRevB.65.132107 / Phys. Rev. B: Condens. Matter Mater. Phys. by Takemura (2002)
10.1103/PhysRevLett.74.1139 / Phys. Rev. Lett. by Potzel (1995)
{'key': 'B915967C-(cit6)/*[position()=1]', 'first-page': '3581', 'volume': '8', 'author': 'Steiner', 'year': '1996', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Steiner (1996)
10.1103/PhysRevB.56.7206 / Phys. Rev. B: Condens. Matter by Novikov (1997)
10.1103/PhysRevB.63.054103 / Phys. Rev. B: Condens. Matter Mater. Phys. by Steinle-Neumann (2001)
10.1016/S0038-1098(02)00828-1 / Solid State Commun. by Godwal (2003)
{'key': 'B915967C-(cit10)/*[position()=1]', 'first-page': '6405', 'volume': '16', 'author': 'Qiu', 'year': '2004', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Qiu (2004)
{'key': 'B915967C-(cit11)/*[position()=1]', 'first-page': '559', 'volume': '17', 'author': 'Sin’ko', 'year': '2005', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Sin’ko (2005)
10.1103/PhysRevB.77.045136 / Phys. Rev. B: Condens. Matter Mater. Phys. by Harl (2008)
10.1103/PhysRevLett.103.056401 / Phys. Rev. Lett. by Harl (2009)
10.1103/PhysRevLett.100.226404 / Phys. Rev. Lett. by Gaston (2008)
10.1103/PhysRevB.75.205123 / Phys. Rev. B: Condens. Matter Mater. Phys. by Wedig (2007)
10.1103/PhysRevLett.77.3865 / Phys. Rev. Lett. by Perdew (1996)
10.1103/PhysRevB.45.13244 / Phys. Rev. B: Condens. Matter by Perdew (1992)
10.1017/S0305004100016108 / Proc. Cambridge Philos. Soc. by Dirac (1930)
10.1139/p80-159 / Can. J. Phys. by Vosko (1980)
10.1063/1.464913 / J. Chem. Phys. by Becke (1993)
10.1103/PhysRevB.37.785 / Phys. Rev. B: Condens. Matter by Lee (1988)
10.1103/PhysRevB.74.094102 / Phys. Rev. B: Condens. Matter Mater. Phys. by Gaston (2006)
R. Dovesi , V. R.Saunders, C.Roetti, R.Orlando, C. M.Zicovich-Wilson, F.Pascale, B.Civalleri, K.Doll, N. M.Harrison, I. J.Bush, Ph.D’Arco and M.Llunell, Crystal06 User’s Manual, University of Torino, Torino, 2006 / Crystal06 User’s Manual by Dovesi (2006)
10.1016/j.chemphys.2004.10.005 / Chem. Phys. by Figgen (2005)
10.1007/s00214-005-0681-9 / Theor. Chem. Acc. by Peterson (2005)
10.1103/PhysRevB.70.165106 / Phys. Rev. B: Condens. Matter Mater. Phys. by Paulus (2004)
10.1103/PhysRevB.75.245117 / Phys. Rev. B: Condens. Matter Mater. Phys. by Voloshina (2007)
10.1103/PhysRevB.46.6700 / Phys. Rev. B: Condens. Matter Mater. Phys. by Stoll (1992)
10.1016/j.physrep.2006.01.003 / Phys. Rep. by Paulus (2006)
10.1103/PhysRevB.76.214116 / Phys. Rev. B: Condens. Matter Mater. Phys. by Gaston (2007)
10.1063/1.2715555 / J. Chem. Phys. by Voloshina (2007)
10.1016/0009-2614(94)00815-9 / Chem. Phys. Lett. by Deegan (1994)
10.1016/0009-2614(92)86093-W / Chem. Phys. Lett. by Hampel (1992)
10.1016/S0009-2614(89)87395-6 / Chem. Phys. Lett. by Raghavachari (1989)
C. Kittel , Introduction to Solid State Physics, Wiley, New York, 7th edn, 1996 / Introduction to Solid State Physics by Kittel (1996)
CRC Handook of Chemistry and Physics, ed. D. R. Lide, CRC Press, New York, 88th edn, 2007–2008 / CRC Handook of Chemistry and Physics (2007–2008)
10.1143/JPSJ.76.023601 / J. Phys. Soc. Jpn. by Takemura (2007)

Dates

Type	When
Created	15 years, 10 months ago (Oct. 21, 2009, 6:30 a.m.)
Deposited	1 year, 4 months ago (April 17, 2024, 5:23 a.m.)
Indexed	11 months, 2 weeks ago (Sept. 9, 2024, 4:26 a.m.)
Issued	15 years, 7 months ago (Jan. 1, 2010)
Published	15 years, 7 months ago (Jan. 1, 2010)
Published Online	15 years, 7 months ago (Jan. 1, 2010)

Funders 0

None

BibTeX

@article{Gaston_2010, title={Understanding the hcp anisotropy in Cd and Zn: the role of electron correlation in determining the potential energy surface}, volume={12}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/b915967c}, DOI={10.1039/b915967c}, number={3}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Gaston, Nicola and Andrae, Dirk and Paulus, Beate and Wedig, Ulrich and Jansen, Martin}, year={2010}, pages={681–687} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        9,
        9
      ]
    ],
    "date-time": "2024-09-09T08:26:47Z",
    "timestamp": 1725870407328
  },
  "reference-count": 37,
  "publisher": "Royal Society of Chemistry (RSC)",
  "issue": "3",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "DOI": "10.1039/b915967c",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2009,
        10,
        21
      ]
    ],
    "date-time": "2009-10-21T10:30:20Z",
    "timestamp": 1256121020000
  },
  "page": "681-687",
  "source": "Crossref",
  "is-referenced-by-count": 25,
  "title": "Understanding the hcp anisotropy in Cd and Zn: the role of electron correlation in determining the potential energy surface",
  "prefix": "10.1039",
  "volume": "12",
  "author": [
    {
      "given": "Nicola",
      "family": "Gaston",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "Dirk",
      "family": "Andrae",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Beate",
      "family": "Paulus",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Ulrich",
      "family": "Wedig",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Martin",
      "family": "Jansen",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "292",
  "published-online": {
    "date-parts": [
      [
        2010
      ]
    ]
  },
  "reference": [
    {
      "key": "B915967C-(cit1)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5170",
      "DOI": "10.1103/PhysRevB.56.5170",
      "volume": "56",
      "author": "Takemura",
      "year": "1997",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "key": "B915967C-(cit2)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "63",
      "DOI": "10.1016/0022-3697(65)90073-9",
      "volume": "26",
      "author": "Lynch",
      "year": "1965",
      "journal-title": "J. Phys. Chem. Solids"
    },
    {
      "key": "B915967C-(cit3)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1807",
      "DOI": "10.1103/PhysRevLett.75.1807",
      "volume": "75",
      "author": "Takemura",
      "year": "1995",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "B915967C-(cit4)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "132107",
      "DOI": "10.1103/PhysRevB.65.132107",
      "volume": "65",
      "author": "Takemura",
      "year": "2002",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit5)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1139",
      "DOI": "10.1103/PhysRevLett.74.1139",
      "volume": "74",
      "author": "Potzel",
      "year": "1995",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "B915967C-(cit6)/*[position()=1]",
      "first-page": "3581",
      "volume": "8",
      "author": "Steiner",
      "year": "1996",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "B915967C-(cit7)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "7206",
      "DOI": "10.1103/PhysRevB.56.7206",
      "volume": "56",
      "author": "Novikov",
      "year": "1997",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "key": "B915967C-(cit8)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "054103",
      "DOI": "10.1103/PhysRevB.63.054103",
      "volume": "63",
      "author": "Steinle-Neumann",
      "year": "2001",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit9)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "401",
      "DOI": "10.1016/S0038-1098(02)00828-1",
      "volume": "125",
      "author": "Godwal",
      "year": "2003",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "B915967C-(cit10)/*[position()=1]",
      "first-page": "6405",
      "volume": "16",
      "author": "Qiu",
      "year": "2004",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "B915967C-(cit11)/*[position()=1]",
      "first-page": "559",
      "volume": "17",
      "author": "Sin\u2019ko",
      "year": "2005",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "B915967C-(cit12)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "045136",
      "DOI": "10.1103/PhysRevB.77.045136",
      "volume": "77",
      "author": "Harl",
      "year": "2008",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit13)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "056401",
      "DOI": "10.1103/PhysRevLett.103.056401",
      "volume": "103",
      "author": "Harl",
      "year": "2009",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "B915967C-(cit14)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "226404",
      "DOI": "10.1103/PhysRevLett.100.226404",
      "volume": "100",
      "author": "Gaston",
      "year": "2008",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "B915967C-(cit15)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "205123",
      "DOI": "10.1103/PhysRevB.75.205123",
      "volume": "75",
      "author": "Wedig",
      "year": "2007",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit16)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "3865",
      "DOI": "10.1103/PhysRevLett.77.3865",
      "volume": "77",
      "author": "Perdew",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "B915967C-(cit17)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "13244",
      "DOI": "10.1103/PhysRevB.45.13244",
      "volume": "45",
      "author": "Perdew",
      "year": "1992",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "key": "B915967C-(cit18)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "376",
      "DOI": "10.1017/S0305004100016108",
      "volume": "26",
      "author": "Dirac",
      "year": "1930",
      "journal-title": "Proc. Cambridge Philos. Soc."
    },
    {
      "key": "B915967C-(cit19)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1200",
      "DOI": "10.1139/p80-159",
      "volume": "58",
      "author": "Vosko",
      "year": "1980",
      "journal-title": "Can. J. Phys."
    },
    {
      "key": "B915967C-(cit20)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "5648",
      "DOI": "10.1063/1.464913",
      "volume": "98",
      "author": "Becke",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "B915967C-(cit21)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "785",
      "DOI": "10.1103/PhysRevB.37.785",
      "volume": "37",
      "author": "Lee",
      "year": "1988",
      "journal-title": "Phys. Rev. B: Condens. Matter"
    },
    {
      "key": "B915967C-(cit22)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "094102",
      "DOI": "10.1103/PhysRevB.74.094102",
      "volume": "74",
      "author": "Gaston",
      "year": "2006",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit23)/*[position()=1]",
      "volume-title": "Crystal06 User\u2019s Manual",
      "author": "Dovesi",
      "year": "2006",
      "unstructured": "R. Dovesi , V. R.Saunders, C.Roetti, R.Orlando, C. M.Zicovich-Wilson, F.Pascale, B.Civalleri, K.Doll, N. M.Harrison, I. J.Bush, Ph.D\u2019Arco and M.Llunell, Crystal06 User\u2019s Manual, University of Torino, Torino, 2006"
    },
    {
      "key": "B915967C-(cit24)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "227",
      "DOI": "10.1016/j.chemphys.2004.10.005",
      "volume": "311",
      "author": "Figgen",
      "year": "2005",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "B915967C-(cit25)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "283",
      "DOI": "10.1007/s00214-005-0681-9",
      "volume": "114",
      "author": "Peterson",
      "year": "2005",
      "journal-title": "Theor. Chem. Acc."
    },
    {
      "key": "B915967C-(cit26)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "165106",
      "DOI": "10.1103/PhysRevB.70.165106",
      "volume": "70",
      "author": "Paulus",
      "year": "2004",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit27)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "245117",
      "DOI": "10.1103/PhysRevB.75.245117",
      "volume": "75",
      "author": "Voloshina",
      "year": "2007",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit28)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "6700",
      "DOI": "10.1103/PhysRevB.46.6700",
      "volume": "46",
      "author": "Stoll",
      "year": "1992",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit29)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/j.physrep.2006.01.003",
      "volume": "428",
      "author": "Paulus",
      "year": "2006",
      "journal-title": "Phys. Rep."
    },
    {
      "key": "B915967C-(cit30)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "214116",
      "DOI": "10.1103/PhysRevB.76.214116",
      "volume": "76",
      "author": "Gaston",
      "year": "2007",
      "journal-title": "Phys. Rev. B: Condens. Matter Mater. Phys."
    },
    {
      "key": "B915967C-(cit31)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "134115",
      "DOI": "10.1063/1.2715555",
      "volume": "126",
      "author": "Voloshina",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "B915967C-(cit33)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "321",
      "DOI": "10.1016/0009-2614(94)00815-9",
      "volume": "227",
      "author": "Deegan",
      "year": "1994",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "B915967C-(cit34)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0009-2614(92)86093-W",
      "volume": "190",
      "author": "Hampel",
      "year": "1992",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "B915967C-(cit35)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "479",
      "DOI": "10.1016/S0009-2614(89)87395-6",
      "volume": "157",
      "author": "Raghavachari",
      "year": "1989",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "B915967C-(cit36)/*[position()=1]",
      "volume-title": "Introduction to Solid State Physics",
      "author": "Kittel",
      "year": "1996",
      "unstructured": "C. Kittel , Introduction to Solid State Physics, Wiley, New York, 7th edn, 1996"
    },
    {
      "key": "B915967C-(cit37)/*[position()=1]",
      "volume-title": "CRC Handook of Chemistry and Physics",
      "year": "2007\u20132008",
      "unstructured": "CRC Handook of Chemistry and Physics, ed. D. R. Lide, CRC Press, New York, 88th edn, 2007\u20132008"
    },
    {
      "key": "B915967C-(cit38)/*[position()=1]",
      "doi-asserted-by": "crossref",
      "first-page": "023601",
      "DOI": "10.1143/JPSJ.76.023601",
      "volume": "76",
      "author": "Takemura",
      "year": "2007",
      "journal-title": "J. Phys. Soc. Jpn."
    }
  ],
  "container-title": "Phys. Chem. Chem. Phys.",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://pubs.rsc.org/en/content/articlepdf/2010/CP/B915967C",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        4,
        17
      ]
    ],
    "date-time": "2024-04-17T09:23:34Z",
    "timestamp": 1713345814000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://xlink.rsc.org/?DOI=B915967C"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2010
      ]
    ]
  },
  "references-count": 37,
  "journal-issue": {
    "issue": "3",
    "published-print": {
      "date-parts": [
        [
          2010
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1039/b915967c",
  "relation": {},
  "ISSN": [
    "1463-9076",
    "1463-9084"
  ],
  "subject": [],
  "container-title-short": "Phys. Chem. Chem. Phys.",
  "published": {
    "date-parts": [
      [
        2010
      ]
    ]
  }
}