TWO-DIMENSIONAL FULLY NUMERICAL MC-SCF CALCULATIONS ON H-2 AND LIH - THE DIPOLE-MOMENT OF LIH

被引：29

作者：

LAAKSONEN, L ^{[1
]}

SUNDHOLM, D ^{[1
]}

PYYKKO, P ^{[1
]}

机构：

[1] UNIV HELSINKI,DEPT CHEM,SF-00100 HELSINKI 10,FINLAND

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 105卷 / 06期

关键词：

D O I：

10.1016/0009-2614(84)85659-6

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：573 / 576

页数：4

共 22 条

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[4] THE PROPERTIES OF LIH IN ITS GROUND AND 1ST EXCITED ELECTRONIC STATE
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[6] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) : 87 - &
[7] Fischer C. F., 1970, Computer Physics Communications, V1, P151, DOI 10.1016/0010-4655(70)90002-0
[8] Fischer C. Froese, 1977, HARTREE FOCK METHOD
[9] GROUND-STATE DIPOLE POLARIZABILITY OF LITHIUM HYDRIDE - ACCURATE SCF AND CAS SCF CALCULATIONS
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[J]. CHEMICAL PHYSICS LETTERS, 1982, 86 (04) : 374 - 379
[10] IMPROVED THEORETICAL GROUND-STATE ENERGY OF HYDROGEN MOLECULE
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