DOI: 10.1063/1.1733797. Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons

Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons

10.1063/1.1733797

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Analytical self-consistent field (SCF) functions for the neutral atoms and positive ions isoelectronic series of 2 to 10 electrons up to Z=36 are presented. These computations deal with the lowest electronic configuration ground states and excited states. The basis set of Slater-type orbitals (STO) is fully optimized with respect to the orbital exponent, and considerable effort was given to obtain a short expansion. A maximum of nine STO's were considered sufficient for the largest expansion. The total energies of each isoelectronic series are collected in simple series expansions in power of Z. For the 444 computed SCF functions here reported, only the most important features are discussed.

Bibliography

Clementi, E. (1963). Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons. The Journal of Chemical Physics, 38(4), 996â1000.

Authors 1

Enrico Clementi (first)

References 10 Referenced 122

{'key': '2024020821192957400_r1'}
{'key': '2024020821192957400_r2'}
{'key': '2024020821192957400_r3'}
{'key': '2024020821192957400_r4'}
{'key': '2024020821192957400_r5'}
10.1063/1.1733165 / J. Chem. Phys. (1962)
10.1063/1.1732313 / J. Chem. Phys. (1962)
10.1103/PhysRev.46.1002 / Phys. Rev. (1934)
10.1039/tf9383400678 / Trans. Faraday Soc. (1938)
{'key': '2024020821192957400_r8'}

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 1:59 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 4:19 p.m.)
Indexed	1 month, 3 weeks ago (July 1, 2025, 9:07 a.m.)
Issued	62 years, 6 months ago (Feb. 15, 1963)
Published	62 years, 6 months ago (Feb. 15, 1963)
Published Print	62 years, 6 months ago (Feb. 15, 1963)

Funders 0

None

BibTeX

@article{Clementi_1963, title={Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons}, volume={38}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1733797}, DOI={10.1063/1.1733797}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Clementi, Enrico}, year={1963}, month=feb, pages={996–1000} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        1
      ]
    ],
    "date-time": "2025-07-01T13:07:03Z",
    "timestamp": 1751375223000
  },
  "reference-count": 10,
  "publisher": "AIP Publishing",
  "issue": "4",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1963,
        2,
        15
      ]
    ]
  },
  "abstract": "<jats:p>Analytical self-consistent field (SCF) functions for the neutral atoms and positive ions isoelectronic series of 2 to 10 electrons up to Z=36 are presented. These computations deal with the lowest electronic configuration ground states and excited states. The basis set of Slater-type orbitals (STO) is fully optimized with respect to the orbital exponent, and considerable effort was given to obtain a short expansion. A maximum of nine STO's were considered sufficient for the largest expansion. The total energies of each isoelectronic series are collected in simple series expansions in power of Z. For the 444 computed SCF functions here reported, only the most important features are discussed.</jats:p>",
  "DOI": "10.1063/1.1733797",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2005,
        1,
        9
      ]
    ],
    "date-time": "2005-01-09T06:59:58Z",
    "timestamp": 1105253998000
  },
  "page": "996-1000",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 122,
  "title": "Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons",
  "prefix": "10.1063",
  "volume": "38",
  "author": [
    {
      "given": "Enrico",
      "family": "Clementi",
      "sequence": "first",
      "affiliation": [
        {
          "name": "International Business Machines Corporation, Research Laboratory, San Jose, California"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020821192957400_r1"
    },
    {
      "key": "2024020821192957400_r2"
    },
    {
      "key": "2024020821192957400_r3"
    },
    {
      "key": "2024020821192957400_r4"
    },
    {
      "key": "2024020821192957400_r5"
    },
    {
      "key": "2024020821192957400_r6",
      "doi-asserted-by": "crossref",
      "first-page": "809",
      "DOI": "10.1063/1.1733165",
      "volume": "37",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020821192957400_r6a",
      "doi-asserted-by": "crossref",
      "first-page": "33",
      "DOI": "10.1063/1.1732313",
      "volume": "36",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020821192957400_r7",
      "doi-asserted-by": "crossref",
      "first-page": "1002",
      "DOI": "10.1103/PhysRev.46.1002",
      "volume": "46",
      "year": "1934",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020821192957400_r7a",
      "doi-asserted-by": "crossref",
      "first-page": "678",
      "DOI": "10.1039/tf9383400678",
      "volume": "34",
      "year": "1938",
      "journal-title": "Trans. Faraday Soc."
    },
    {
      "key": "2024020821192957400_r8"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/38/4/996/18828196/996_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/38/4/996/18828196/996_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        8
      ]
    ],
    "date-time": "2024-02-08T21:19:34Z",
    "timestamp": 1707427174000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/38/4/996/207096/Analytical-Self-Consistent-Field-Functions-for"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1963,
        2,
        15
      ]
    ]
  },
  "references-count": 10,
  "journal-issue": {
    "issue": "4",
    "published-print": {
      "date-parts": [
        [
          1963,
          2,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1733797",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1963,
        2,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1963,
        2,
        15
      ]
    ]
  }
}