THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY

被引：317

作者：

BRUNA, PJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

BUENKER, RJ ^{[1
]}

机构：

[1] GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 72卷 / 02期

关键词：

D O I：

10.1016/0009-2614(80)80291-0

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：278 / 284

页数：7

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共 14 条

[1] A'3SIGMAG--X'3IIU BAND SYSTEM OF C2 MOLECULE
BALLIK, EA
RAMSAY, DA
[J]. ASTROPHYSICAL JOURNAL, 1963, 137 (01) : 61 - &
[2] AN EXTENSION OF PHILLIPS SYSTEM OF C2 AND A SURVEY OF C2 STATES
BALLIK, EA
RAMSAY, DA
[J]. ASTROPHYSICAL JOURNAL, 1963, 137 (01) : 84 - &
[3] BRUNA PJ, UNPUBLISHED
[4] ENERGY EXTRAPOLATION IN CI CALCULATIONS
BUENKER, RJ
PEYERIMHOFF, SD
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (03): : 217 - 228
[5] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
PEYERIMHOFF, SD
BUTSCHER, W
[J]. MOLECULAR PHYSICS, 1978, 35 (03) : 771 - 791
[6] DAVIDSON ER, 1979, WORLD QUANTUM CHEM, P17
[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[8] ABINITIO CI STUDY OF CN+ - IDENTITY OF THE GROUND-STATE
HA, TK
[J]. CHEMICAL PHYSICS LETTERS, 1979, 66 (02) : 317 - 320
[9] ABINITIO POTENTIAL CURVES FOR THE LOWEST SIGMA-1+ AND PI-3 STATES OF THE ION CN+
HIRST, DM
[J]. CHEMICAL PHYSICS LETTERS, 1979, 65 (01) : 181 - 183
[10] CONFIGURATION INTERACTION STUDY OF SPIN DIPOLE-DIPOLE PARAMETERS FOR FORMALDEHYDE AND METHYLENE
LANGHOFF, SR
ELBERT, ST
DAVIDSON, ER
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (05) : 999 - 1019