A DETERMINANT BASED FULL CONFIGURATION-INTERACTION PROGRAM

被引：214

作者：

KNOWLES, PJ

HANDY, NC

机构：

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1989年 / 54卷 / 01期

关键词：

D O I：

10.1016/0010-4655(89)90033-7

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

收藏

页码：75 / 83

页数：9

相关论文

共 33 条

[1] 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
[2] THEORETICAL DETERMINATION OF THE RADIATIVE LIFETIME OF THE A2-SIGMA+ STATE OF OH
BAUSCHLICHER, CW
LANGHOFF, SR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (08) : 4665 - 4672
[3] ON THE ELECTRON-AFFINITY OF THE OXYGEN ATOM
BAUSCHLICHER, CW
LANGHOFF, SR
PARTRIDGE, H
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (06) : 3407 - 3410
[4] FULL CI BENCHMARK CALCULATIONS FOR MOLECULAR-PROPERTIES
BAUSCHLICHER, CW
TAYLOR, PR
[J]. THEORETICA CHIMICA ACTA, 1987, 71 (04): : 263 - 276
[5] BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON HF AND NH2
BAUSCHLICHER, CW
LANGHOFF, SR
TAYLOR, PR
HANDY, NC
KNOWLES, PJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (03) : 1469 - 1474
[6] BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F-
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) : 2779 - 2783
[7] 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
[8] CORE CORE AND CORE VALENCE CORRELATION
BAUSCHLICHER, CW
LANGHOFF, SR
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04) : 2540 - 2546
[9] BAUSCHLICHER CW, J CHEM PHYS, V85, P610
[10] DAVIDSON ER, 1975, J COMPUT PHYS, V17, P84

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