A FULL CL TREATMENT OF THE 1A1, 1B1, AND 3B1 STATES OF SIH2

被引：98

作者：

BAUSCHLICHER, CW ^{[1
]}

TAYLOR, PR ^{[1
]}

机构：

[1] ELORET INST,SUNNYVALE,CA 94087

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 03期

关键词：

D O I：

10.1063/1.452229

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：1420 / 1424

页数：5

共 24 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] IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205
AHLRICHS, R
BOHM, HJ
EHRHARDT, C
SCHARF, P
SCHIFFER, H
LISCHKA, H
SCHINDLER, M
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (03) : 200 - 208
[3] THE SINGLET TRIPLET ENERGY SEPARATION IN SILYLENE
BALASUBRAMANIAN, K
MCLEAN, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) : 5117 - 5119
[4] 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
[5] 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
[6] 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
[7] BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F-
BAUSCHLICHER, CW
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) : 2779 - 2783
[8] ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE
BAUSCHLICHER, CW
SHAVITT, I
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) : 739 - 743
[9] BAUSCHLICHER CW, J CHEM PHYS
[10] BENDER CF, 1971, J CHEM PHYS, V55, P7498

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