Molecular charge distribution of CO

G. de With; D. Feil

doi:10.1016/0009-2614(75)80120-5

Molecular charge distribution of CO

G. de With, D. Feil

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Abstract

The difference electron density of CO is studied by comparison of several calculations. It is shown that the Hartree-Fock-Slater and Hartree-Fock methods yield equally good charge-distributions and that the use of minimal basis sets should be avoided.

Original language	English
Pages (from-to)	279-283
Journal	Chemical physics letters
Volume	30
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(75)80120-5
Publication status	Published - 1975

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title = "Molecular charge distribution of CO",

abstract = "The difference electron density of CO is studied by comparison of several calculations. It is shown that the Hartree-Fock-Slater and Hartree-Fock methods yield equally good charge-distributions and that the use of minimal basis sets should be avoided.",

author = "{de With}, G. and D. Feil",

year = "1975",

doi = "10.1016/0009-2614(75)80120-5",

language = "English",

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T1 - Molecular charge distribution of CO

AU - de With, G.

AU - Feil, D.

PY - 1975

Y1 - 1975

N2 - The difference electron density of CO is studied by comparison of several calculations. It is shown that the Hartree-Fock-Slater and Hartree-Fock methods yield equally good charge-distributions and that the use of minimal basis sets should be avoided.

AB - The difference electron density of CO is studied by comparison of several calculations. It is shown that the Hartree-Fock-Slater and Hartree-Fock methods yield equally good charge-distributions and that the use of minimal basis sets should be avoided.

U2 - 10.1016/0009-2614(75)80120-5

DO - 10.1016/0009-2614(75)80120-5

M3 - Article

SN - 0009-2614

VL - 30

SP - 279

EP - 283

JO - Chemical physics letters

JF - Chemical physics letters

IS - 2

ER -

Molecular charge distribution of CO

Abstract

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