FULL CI BENCHMARK CALCULATIONS FOR MOLECULAR-PROPERTIES

被引：63

作者：

BAUSCHLICHER, CW ^{[1
]}

TAYLOR, PR ^{[1
]}

机构：

[1] ELORET INST,SUNNYVALE,CA 94087

来源：

THEORETICA CHIMICA ACTA | 1987年 / 71卷 / 04期

关键词：

D O I：

10.1007/BF00529098

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

收藏

页码：263 / 276

页数：14

相关论文

共 23 条

[1] AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[2] 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
[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] 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
[5] BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F-
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) : 2779 - 2783
[6] 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
[7] 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
[8] 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
[9] BENDER CF, 1971, J CHEM PHYS, V55, P7498
[10] ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C
BUNGE, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) : 20 - &