DOI: 10.1098/rspa.1958.0193. Radial wave functions with exchange for Va<sup>2+</sup>, Kr and Ag<sup>+</sup>

Radial wave functions with exchange for Va2+, Kr and Ag+

10.1098/rspa.1958.0193

Crossref journal-article

The Royal Society

Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences (175)

Abstract

A generalized program for calculating atomic radial wave functions with exchange has been prepared for the Ferranti computer (FERUT) at the University of Toronto, and is described in a separate paper. This program has now been applied to V2+, Kr and Ag+. The wave functions for these atoms, together with the energy and initial slope parameters, are presented to the accuracy justified by the physical approximation of the Hartree–Fock formulation. The configurations of Kr and Ag+are considerably larger than any which have previously been treated by the self-consistent field process with exchange.

Bibliography

Radial wave functions with exchange for Va2+, Kr and Ag+. (1958). Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 247(1250), 390â399.

Authors 0

None

References 8 Referenced 31

{'key': 'p_1', 'first-page': '29', 'article-title': 'M em .M anchr. L it.P h il', 'volume': '79', 'author': 'Black M. M.', 'year': '1935', 'journal-title': 'Soc.'} / Soc. / M em .M anchr. L it.P h il by Black M. M. (1935)
{'key': 'p_2', 'first-page': '96', 'article-title': 'Proc. R oy', 'volume': '151', 'year': '1935', 'journal-title': 'Soc. A'} / Soc. A / Proc. R oy (1935)
{'key': 'p_3', 'first-page': '126', 'article-title': 'Proc. Camb. P h il', 'volume': '51', 'year': '1955', 'journal-title': 'Soc.'} / Soc. / Proc. Camb. P h il (1955)
{'key': 'p_4', 'first-page': '350', 'article-title': 'J', 'volume': '46', 'year': '1956', 'journal-title': 'Opt. Soc. A m er.'} / Opt. Soc. A m er. / J (1956)
H artree D. R . 1957 The calculation of atomic structures (1st ed. §§3-6 5-5 5-7). New Y ork: Jo h n W iley and Sons Inc.
H oltsm ark J . 1930 Z . P hys.66 49. (10.1002/jctb.5000490316)
W orsley B. H . 1955 Computers and automation (5) 4 10-13. (10.1300/J407v10n01_02)
Worsley B. H . 1958 Canad. J . P hys. 36 289-299. (10.1139/p58-032)

Dates

Type	When
Created	18 years, 8 months ago (Dec. 15, 2006, 4:38 p.m.)
Deposited	4 years ago (Aug. 6, 2021, 1:20 a.m.)
Indexed	1 year, 6 months ago (Feb. 8, 2024, 3:06 p.m.)
Issued	66 years, 10 months ago (Sept. 30, 1958)
Published	66 years, 10 months ago (Sept. 30, 1958)
Published Online	28 years, 7 months ago (Jan. 1, 1997)
Published Print	66 years, 10 months ago (Sept. 30, 1958)

Funders 0

None

BibTeX

@article{1958, Kr and Ag+_1958, volume={247}, ISSN={2053-9169}, url={http://dx.doi.org/10.1098/rspa.1958.0193}, DOI={10.1098/rspa.1958.0193}, number={1250}, journal={Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences}, publisher={The Royal Society}, year={1958}, month=sep, pages={390–399} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        2,
        8
      ]
    ],
    "date-time": "2024-02-08T20:06:49Z",
    "timestamp": 1707422809768
  },
  "reference-count": 8,
  "publisher": "The Royal Society",
  "issue": "1250",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1958,
            9,
            30
          ]
        ],
        "date-time": "1958-09-30T00:00:00Z",
        "timestamp": -355190400000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://royalsociety.org/journals/ethics-policies/data-sharing-mining/"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1958,
        9,
        30
      ]
    ]
  },
  "abstract": "<jats:p>A generalized program for calculating atomic radial wave functions with exchange has been prepared for the Ferranti computer (FERUT) at the University of Toronto, and is described in a separate paper. This program has now been applied to V<jats:sup>2+</jats:sup>, Kr and Ag<jats:sup>+</jats:sup>. The wave functions for these atoms, together with the energy and initial slope parameters, are presented to the accuracy justified by the physical approximation of the Hartree\u2013Fock formulation. The configurations of Kr and Ag<jats:sup>+</jats:sup>are considerably larger than any which have previously been treated by the self-consistent field process with exchange.</jats:p>",
  "DOI": "10.1098/rspa.1958.0193",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2006,
        12,
        15
      ]
    ],
    "date-time": "2006-12-15T21:38:25Z",
    "timestamp": 1166218705000
  },
  "page": "390-399",
  "source": "Crossref",
  "is-referenced-by-count": 31,
  "title": "Radial wave functions with exchange for Va<sup>2+</sup>, Kr and Ag<sup>+</sup>",
  "prefix": "10.1098",
  "volume": "247",
  "member": "175",
  "published-online": {
    "date-parts": [
      [
        1997,
        1
      ]
    ]
  },
  "reference": [
    {
      "key": "p_1",
      "first-page": "29",
      "article-title": "M em .M anchr. L it.P h il",
      "volume": "79",
      "author": "Black M. M.",
      "year": "1935",
      "journal-title": "Soc."
    },
    {
      "key": "p_2",
      "first-page": "96",
      "article-title": "Proc. R oy",
      "volume": "151",
      "year": "1935",
      "journal-title": "Soc. A"
    },
    {
      "key": "p_3",
      "first-page": "126",
      "article-title": "Proc. Camb. P h il",
      "volume": "51",
      "year": "1955",
      "journal-title": "Soc."
    },
    {
      "key": "p_4",
      "first-page": "350",
      "article-title": "J",
      "volume": "46",
      "year": "1956",
      "journal-title": "Opt. Soc. A m er."
    },
    {
      "key": "p_5",
      "unstructured": "H artree D. R . 1957 The calculation of atomic structures (1st ed. \u00a7\u00a73-6 5-5 5-7). New Y ork: Jo h n W iley and Sons Inc."
    },
    {
      "key": "p_6",
      "doi-asserted-by": "crossref",
      "unstructured": "H oltsm ark J . 1930 Z . P hys.66 49.",
      "DOI": "10.1002/jctb.5000490316"
    },
    {
      "key": "p_7",
      "doi-asserted-by": "crossref",
      "unstructured": "W orsley B. H . 1955 Computers and automation (5) 4 10-13.",
      "DOI": "10.1300/J407v10n01_02"
    },
    {
      "key": "p_8",
      "doi-asserted-by": "crossref",
      "unstructured": "Worsley B. H . 1958 Canad. J . P hys. 36 289-299.",
      "DOI": "10.1139/p58-032"
    }
  ],
  "container-title": "Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1958.0193",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1958.0193",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        8,
        6
      ]
    ],
    "date-time": "2021-08-06T05:20:40Z",
    "timestamp": 1628227240000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://royalsocietypublishing.org/doi/10.1098/rspa.1958.0193"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1958,
        9,
        30
      ]
    ]
  },
  "references-count": 8,
  "journal-issue": {
    "issue": "1250",
    "published-print": {
      "date-parts": [
        [
          1958,
          9,
          30
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1098/rspa.1958.0193"
  ],
  "URL": "http://dx.doi.org/10.1098/rspa.1958.0193",
  "relation": {},
  "ISSN": [
    "0080-4630",
    "2053-9169"
  ],
  "subject": [],
  "container-title-short": "Proc. R. Soc. Lond. A",
  "published": {
    "date-parts": [
      [
        1958,
        9,
        30
      ]
    ]
  }
}