DOI: 10.1063/1.456317. Correlated van der Waals coefficients. II. Dimers consisting of CO, HF, H2O, and NH3

10.1063/1.456317

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Correlated frequency-dependent polarizabilities are calculated for the molecules HF, H2O, NH3, and CO by the use of a many-body perturbation theory method, to second order in the correlation potential. We computed from these polarizabilities the dispersion coefficients Cn, up to n=10, for all the dimers consisting of these molecules and for all their combinations with He, Ne, H2, and N2 for which the polarizabilities were calculated previously. The results are compared with (semi-) empirical and theoretical values from literature as far as possible.

Bibliography

Rijks, W., & Wormer, P. E. S. (1989). Correlated van der Waals coefficients. II. Dimers consisting of CO, HF, H2O, and NH3. The Journal of Chemical Physics, 90(11), 6507â6519.

Authors 2

W. Rijks (first)
P. E. S. Wormer (additional)

References 46 Referenced 110

10.1063/1.454530 / J. Chem. Phys. (1988)
10.1063/1.445591 / J. Chem. Phys. (1983)
10.1080/00268978400101661 / Mol. Phys. (1984)
10.1016/0301-0104(85)80012-4 / Chem. Phys. (1985)
10.1103/PhysRevA.33.2928 / Phys. Rev. A (1986)
10.1063/1.441784 / J. Chem. Phys. (1981)
10.1063/1.881076 / Phys. Today (1987)
10.1103/PhysRev.73.360 / Phys. Rev. (1948)
10.1063/1.450849 / J. Chem. Phys. (1986)
10.1016/0301-0104(80)80088-7 / Chem. Phys. (1980)
10.1016/0301-0104(78)87142-0 / Chem. Phys. (1978)
10.1016/0301-0104(82)85078-7 / Chem. Phys. (1982)
10.1063/1.446663 / J. Chem. Phys. (1984)
10.1007/3-540-10058-X_7 / Topics Current Chem. (1980)
{'key': '2023062101314155800_r15'}
{'key': '2023062101314155800_r16'}
{'key': '2023062101314155800_r17'}
{'key': '2023062101314155800_r17a'}
10.1063/1.1730988 / J. Chem. Phys. (1960)
10.1080/00268978600102511 / Mol. Phys. (1986)
10.1080/00268977600100651 / Mol. Phys. (1976)
10.1080/00268978600100381 / Mol. Phys. (1986)
10.1139/p77-252 / Can. J. Phys. (1977)
10.1103/PhysRevA.20.1313 / Phys. Rev. A (1979)
10.1063/1.442175 / J. Chem. Phys. (1981)
10.1016/0009-2614(82)83545-8 / Chem. Phys. Lett. (1982)
10.1016/0009-2614(79)80716-2 / Chem. Phys. Lett. (1979)
10.1063/1.450672 / J. Chem. Phys. (1986)
10.1080/00268977800101331 / Mol. Phys. (1978)
10.1063/1.449657 / J. Chem. Phys. (1985)
10.1103/PhysRevA.27.2795 / Phys. Rev. A (1983)
10.1016/0301-0104(86)87005-7 / Chem. Phys. (1986)
{'key': '2023062101314155800_r32', 'first-page': '107', 'volume': '12', 'year': '1967', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1967)
10.1080/00268978700100761 / Mol. Phys. (1987)
10.1080/00268978300102741 / Mol. Phys. (1983)
10.1080/00268978500103191 / Mol. Phys. (1985)
10.1016/0009-2614(88)80194-5 / Chem. Phys. Lett. (1988)
10.1016/0009-2614(80)80137-0 / Chem. Phys. Lett. (1980)
10.1016/0301-0104(81)80082-1 / Chem. Phys. (1981)
10.1016/0301-0104(82)85033-7 / Chem. Phys. (1982)
10.1063/1.436978 / J. Chem. Phys. (1978)
10.1063/1.432467 / J. Chem. Phys. (1976)
10.1080/00268977700100991 / Mol. Phys. (1977)
10.1063/1.434794 / J. Chem. Phys. (1977)
10.1063/1.435963 / J. Chem. Phys. (1978)
10.1016/0009-2614(76)85194-9 / Chem. Phys. Lett. (1976)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 5:20 a.m.)
Deposited	2 years, 2 months ago (June 21, 2023, 3:20 a.m.)
Indexed	11 months ago (Sept. 25, 2024, 7:34 a.m.)
Issued	36 years, 2 months ago (June 1, 1989)
Published	36 years, 2 months ago (June 1, 1989)
Published Print	36 years, 2 months ago (June 1, 1989)

Funders 0

None

BibTeX

@article{Rijks_1989, title={Correlated van der Waals coefficients. II. Dimers consisting of CO, HF, H2O, and NH3}, volume={90}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.456317}, DOI={10.1063/1.456317}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Rijks, W. and Wormer, P. E. S.}, year={1989}, month=jun, pages={6507–6519} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        9,
        25
      ]
    ],
    "date-time": "2024-09-25T11:34:15Z",
    "timestamp": 1727264055482
  },
  "reference-count": 46,
  "publisher": "AIP Publishing",
  "issue": "11",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1989,
        6,
        1
      ]
    ]
  },
  "abstract": "<jats:p>Correlated frequency-dependent polarizabilities are calculated for the molecules HF, H2O, NH3, and CO by the use of a many-body perturbation theory method, to second order in the correlation potential. We computed from these polarizabilities the dispersion coefficients Cn, up to n=10, for all the dimers consisting of these molecules and for all their combinations with He, Ne, H2, and N2 for which the polarizabilities were calculated previously. The results are compared with (semi-) empirical and theoretical values from literature as far as possible.</jats:p>",
  "DOI": "10.1063/1.456317",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T09:20:05Z",
    "timestamp": 1027675205000
  },
  "page": "6507-6519",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 110,
  "title": "Correlated van der Waals coefficients. II. Dimers consisting of CO, HF, H2O, and NH3",
  "prefix": "10.1063",
  "volume": "90",
  "author": [
    {
      "given": "W.",
      "family": "Rijks",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands"
        }
      ]
    },
    {
      "given": "P. E. S.",
      "family": "Wormer",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Institute of Theoretical Chemistry, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2023062101314155800_r1",
      "doi-asserted-by": "crossref",
      "first-page": "5704",
      "DOI": "10.1063/1.454530",
      "volume": "88",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r2",
      "doi-asserted-by": "crossref",
      "first-page": "4973",
      "DOI": "10.1063/1.445591",
      "volume": "79",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r3",
      "doi-asserted-by": "crossref",
      "first-page": "923",
      "DOI": "10.1080/00268978400101661",
      "volume": "52",
      "year": "1984",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r4",
      "doi-asserted-by": "crossref",
      "first-page": "129",
      "DOI": "10.1016/0301-0104(85)80012-4",
      "volume": "92",
      "year": "1985",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2023062101314155800_r5",
      "doi-asserted-by": "crossref",
      "first-page": "2928",
      "DOI": "10.1103/PhysRevA.33.2928",
      "volume": "33",
      "year": "1986",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2023062101314155800_r6",
      "doi-asserted-by": "crossref",
      "first-page": "320",
      "DOI": "10.1063/1.441784",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "issue": "6",
      "key": "2023062101314155800_r7",
      "doi-asserted-by": "crossref",
      "first-page": "34",
      "DOI": "10.1063/1.881076",
      "volume": "40",
      "year": "1987",
      "journal-title": "Phys. Today"
    },
    {
      "key": "2023062101314155800_r8",
      "doi-asserted-by": "crossref",
      "first-page": "360",
      "DOI": "10.1103/PhysRev.73.360",
      "volume": "73",
      "year": "1948",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2023062101314155800_r9",
      "doi-asserted-by": "crossref",
      "first-page": "4976",
      "DOI": "10.1063/1.450849",
      "volume": "84",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r10",
      "doi-asserted-by": "crossref",
      "first-page": "131",
      "DOI": "10.1016/0301-0104(80)80088-7",
      "volume": "51",
      "year": "1980",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2023062101314155800_r11",
      "doi-asserted-by": "crossref",
      "first-page": "373",
      "DOI": "10.1016/0301-0104(78)87142-0",
      "volume": "27",
      "year": "1978",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2023062101314155800_r12",
      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1016/0301-0104(82)85078-7",
      "volume": "68",
      "year": "1982",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2023062101314155800_r13",
      "doi-asserted-by": "crossref",
      "first-page": "5518",
      "DOI": "10.1063/1.446663",
      "volume": "80",
      "year": "1984",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r14",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1007/3-540-10058-X_7",
      "volume": "93",
      "year": "1980",
      "journal-title": "Topics Current Chem."
    },
    {
      "key": "2023062101314155800_r15"
    },
    {
      "key": "2023062101314155800_r16"
    },
    {
      "key": "2023062101314155800_r17"
    },
    {
      "key": "2023062101314155800_r17a"
    },
    {
      "key": "2023062101314155800_r18",
      "doi-asserted-by": "crossref",
      "first-page": "1595",
      "DOI": "10.1063/1.1730988",
      "volume": "32",
      "year": "1960",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r19",
      "doi-asserted-by": "crossref",
      "first-page": "965",
      "DOI": "10.1080/00268978600102511",
      "volume": "59",
      "year": "1986",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r20",
      "doi-asserted-by": "crossref",
      "first-page": "855",
      "DOI": "10.1080/00268977600100651",
      "volume": "31",
      "year": "1976",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r21",
      "doi-asserted-by": "crossref",
      "first-page": "509",
      "DOI": "10.1080/00268978600100381",
      "volume": "57",
      "year": "1986",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r22",
      "doi-asserted-by": "crossref",
      "first-page": "2080",
      "DOI": "10.1139/p77-252",
      "volume": "55",
      "year": "1977",
      "journal-title": "Can. J. Phys."
    },
    {
      "key": "2023062101314155800_r23",
      "doi-asserted-by": "crossref",
      "first-page": "1313",
      "DOI": "10.1103/PhysRevA.20.1313",
      "volume": "20",
      "year": "1979",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2023062101314155800_r24",
      "doi-asserted-by": "crossref",
      "first-page": "1253",
      "DOI": "10.1063/1.442175",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r25",
      "doi-asserted-by": "crossref",
      "first-page": "23",
      "DOI": "10.1016/0009-2614(82)83545-8",
      "volume": "87",
      "year": "1982",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2023062101314155800_r26",
      "doi-asserted-by": "crossref",
      "first-page": "570",
      "DOI": "10.1016/0009-2614(79)80716-2",
      "volume": "63",
      "year": "1979",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2023062101314155800_r27",
      "doi-asserted-by": "crossref",
      "first-page": "4988",
      "DOI": "10.1063/1.450672",
      "volume": "84",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r28",
      "doi-asserted-by": "crossref",
      "first-page": "1765",
      "DOI": "10.1080/00268977800101331",
      "volume": "35",
      "year": "1978",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r29",
      "doi-asserted-by": "crossref",
      "first-page": "5784",
      "DOI": "10.1063/1.449657",
      "volume": "83",
      "year": "1985",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r30",
      "doi-asserted-by": "crossref",
      "first-page": "2795",
      "DOI": "10.1103/PhysRevA.27.2795",
      "volume": "27",
      "year": "1983",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2023062101314155800_r31",
      "doi-asserted-by": "crossref",
      "first-page": "45",
      "DOI": "10.1016/0301-0104(86)87005-7",
      "volume": "108",
      "year": "1986",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2023062101314155800_r32",
      "first-page": "107",
      "volume": "12",
      "year": "1967",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r33",
      "doi-asserted-by": "crossref",
      "first-page": "1143",
      "DOI": "10.1080/00268978700100761",
      "volume": "60",
      "year": "1987",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r34",
      "doi-asserted-by": "crossref",
      "first-page": "885",
      "DOI": "10.1080/00268978300102741",
      "volume": "50",
      "year": "1983",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r35",
      "doi-asserted-by": "crossref",
      "first-page": "823",
      "DOI": "10.1080/00268978500103191",
      "volume": "54",
      "year": "1985",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r36",
      "doi-asserted-by": "crossref",
      "first-page": "377",
      "DOI": "10.1016/0009-2614(88)80194-5",
      "volume": "145",
      "year": "1988",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2023062101314155800_r37",
      "doi-asserted-by": "crossref",
      "first-page": "613",
      "DOI": "10.1016/0009-2614(80)80137-0",
      "volume": "70",
      "year": "1980",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2023062101314155800_r38",
      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1016/0301-0104(81)80082-1",
      "volume": "59",
      "year": "1981",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2023062101314155800_r39",
      "doi-asserted-by": "crossref",
      "first-page": "185",
      "DOI": "10.1016/0301-0104(82)85033-7",
      "volume": "67",
      "year": "1982",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2023062101314155800_r40",
      "doi-asserted-by": "crossref",
      "first-page": "3268",
      "DOI": "10.1063/1.436978",
      "volume": "69",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r41",
      "doi-asserted-by": "crossref",
      "first-page": "2010",
      "DOI": "10.1063/1.432467",
      "volume": "64",
      "year": "1976",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r42",
      "doi-asserted-by": "crossref",
      "first-page": "1155",
      "DOI": "10.1080/00268977700100991",
      "volume": "33",
      "year": "1977",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023062101314155800_r43",
      "doi-asserted-by": "crossref",
      "first-page": "5877",
      "DOI": "10.1063/1.434794",
      "volume": "67",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r44",
      "doi-asserted-by": "crossref",
      "first-page": "1426",
      "DOI": "10.1063/1.435963",
      "volume": "68",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062101314155800_r45",
      "doi-asserted-by": "crossref",
      "first-page": "53",
      "DOI": "10.1016/0009-2614(76)85194-9",
      "volume": "39",
      "year": "1976",
      "journal-title": "Chem. Phys. Lett."
    }
  ],
  "updated-by": [
    {
      "updated": {
        "date-parts": [
          [
            1990,
            5,
            1
          ]
        ],
        "date-time": "1990-05-01T00:00:00Z",
        "timestamp": 641520000000
      },
      "DOI": "10.1063/1.458624",
      "type": "correction",
      "source": "publisher",
      "label": "Correction"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/90/11/6507/9728703/6507_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/90/11/6507/9728703/6507_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        6,
        21
      ]
    ],
    "date-time": "2023-06-21T07:20:00Z",
    "timestamp": 1687332000000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/90/11/6507/97125/Correlated-van-der-Waals-coefficients-II-Dimers"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1989,
        6,
        1
      ]
    ]
  },
  "references-count": 46,
  "journal-issue": {
    "issue": "11",
    "published-print": {
      "date-parts": [
        [
          1989,
          6,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.456317",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1989,
        6,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1989,
        6,
        1
      ]
    ]
  }
}