RESTRICTED AND UNRESTRICTED HARTREE-FOCK CALCULATIONS ON THE GEOMETRY OF THE METHYL RADICAL

被引：21

作者：

PACANSKY, J

机构：

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 04期

关键词：

D O I：

10.1021/j100393a014

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：485 / 488

页数：4

共 50 条

[1] RESTRICTED AND UNRESTRICTED HARTREE-FOCK CALCULATIONS FOR ATOMIC LITHIUM
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WATSON, RE
ANNALS OF PHYSICS, 1960, 9 (02) : 260 - 271
[2] ABINITIO PROJECTED-UNRESTRICTED HARTREE-FOCK CALCULATIONS - METHYL RADICAL AND OZONE MOLECULE
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SCHUG, JC
MOLECULAR PHYSICS, 1978, 35 (04) : 1113 - 1123
[3] Restricted and unrestricted Hartree-Fock calculations of conductance for a quantum point contact
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PHYSICAL REVIEW B, 2003, 67 (19)
[4] SPIN CONTAMINATION IN UNRESTRICTED HARTREE-FOCK CALCULATIONS
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JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (04): : 1616 - 1624
[5] SIMULATION OF THE EXCHANGE POTENTIAL IN UNRESTRICTED AND RESTRICTED HARTREE-FOCK CALCULATIONS STUDIED ON ATOMS
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THEORETICA CHIMICA ACTA, 1979, 51 (04): : 339 - 348
[6] METHOD FOR CONVERGING RESTRICTED AND UNRESTRICTED HARTREE-FOCK WAVEFUNCTIONS
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[7] Maximum Ionization in Restricted and Unrestricted Hartree-Fock Theory
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ATOMS, 2021, 9 (01) : 1 - 29
[8] PARTIALLY UNRESTRICTED HARTREE-FOCK CALCULATIONS OF LIGHT ATOMS
PERKINS, JF
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[9] UNRESTRICTED HARTREE-FOCK CALCULATIONS FOR A CLUSTER MODEL OF COO
KLEIN, DL
SURRATT, GT
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JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (19): : 3913 - 3919
[10] UNRESTRICTED HARTREE-FOCK CALCULATIONS ON CUBIC CARBON CLUSTERS
GOLDSTEIN, S
CURTISS, LA
EUWEMA, RN
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1976, 21 (03): : 382 - 382

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