FULL CI BENCHMARK CALCULATIONS ON CH3

被引：59

作者：

BAUSCHLICHER, CW ^{[1
]}

TAYLOR, PR ^{[1
]}

机构：

[1] ELORET INST, SUNNYVALE, CA 94087 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 10期

关键词：

D O I：

10.1063/1.452535

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：5600 / 5602

页数：3

共 27 条

[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
SCHARF, P
EHRHARDT, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) : 890 - 898
[2] BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[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] A FULL CI TREATMENT OF NE ATOM - A BENCHMARK CALCULATION PERFORMED ON THE NAS CRAY 2
BAUSCHLICHER, CW
LANGHOFF, SR
TAYLOR, PR
PARTRIDGE, H
[J]. CHEMICAL PHYSICS LETTERS, 1986, 126 (05) : 436 - 440
[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] 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
[9] A FULL CL TREATMENT OF THE 1A1-3B1 SEPARATION IN METHYLENE
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) : 6510 - 6512
[10] BAUSCHLICHER CW, IN PRESS THEOR CHIM

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