GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .1. THE ATOMS BORON THROUGH NEON AND HYDROGEN

被引：28498

作者：

DUNNING, TH

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 02期

关键词：

D O I：

10.1063/1.456153

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

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页码：1007 / 1023

页数：17

相关论文

共 54 条

[1] THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2
AHLRICHS, R
SCHARF, P
JANKOWSKI, K
[J]. CHEMICAL PHYSICS, 1985, 98 (03) : 381 - 386
[2] GAUSSIAN-BASIS SETS FOR HIGH-QUALITY ABINITIO CALCULATIONS
ALMLOF, J
HELGAKER, T
TAYLOR, PR
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (11) : 3029 - 3033
[3] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
ALMLOF, J
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4070 - 4077
[4] FULL CL BENCHMARK CALCULATIONS ON N-2, NO, AND O-2 - A COMPARISON OF METHODS FOR DESCRIBING MULTIPLE BONDS
BAUSCHLICHER, CW
LANGHOFF, SR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (10) : 5595 - 5599
[5] FULL CI BENCHMARK CALCULATIONS ON CH3
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (10) : 5600 - 5602
[6] FULL CL BENCHMARK CALCULATIONS FOR SEVERAL STATES OF THE SAME SYMMETRY
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (05) : 2844 - 2848
[7] THEORETICAL-STUDIES OF THE POTENTIAL SURFACE FOR THE F+H-2-]HF+H REACTION
BAUSCHLICHER, CW
WALCH, SP
LANGHOFF, SR
TAYLOR, PR
JAFFE, RL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (03) : 1743 - 1751
[8] FULL CL STUDIES OF THE COLLINEAR TRANSITION-STATE FOR THE REACTION F+H-2-]HF+H
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) : 858 - 861
[9] A FULL CL TREATMENT OF THE 1A1, 1B1, AND 3B1 STATES OF SIH2
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (03) : 1420 - 1424
[10] THE IMPACT OF HIGHER POLARIZATION BASIS-SETS ON MOLECULAR ABINITIO RESULTS .3. THE GROUND-STATE OF CL-2 IN COMPARISON WITH OTHER DIATOMICS
BECHERER, R
AHLRICHS, R
[J]. CHEMICAL PHYSICS, 1985, 99 (03) : 389 - 395

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