RELATIVISTIC ABINITIO CL STUDY OF THE X1-SIGMA+ AND A1-SIGMA+ STATES OF THE AGH MOLECULE

被引：90

作者：

HESS, BA ^{[1
]}

CHANDRA, P ^{[1
]}

机构：

[1] UNIV GESAMTHSCH WUPPERTAL,FACHBEREICH THEORET CHEM 9,D-5600 WUPPERTAL 1,FED REP GER

来源：

PHYSICA SCRIPTA | 1987年 / 36卷 / 03期

关键词：

D O I：

10.1088/0031-8949/36/3/006

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

收藏

页码：412 / 415

页数：4

相关论文

共 25 条

[1] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
BUENKER, RJ
PEYERIMH.SD
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
[2] ENERGY EXTRAPOLATION IN CI CALCULATIONS
BUENKER, RJ
PEYERIMHOFF, SD
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (03): : 217 - 228
[3] 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
[4] BUENKER RJ, 1982, CURRENT ASPECTS QUAN
[5] BUENKER RJ, 1985, J MOL STRUC-THEOCHEM, V123, P291
[6] BUENKER RJ, 1980, QUANTUM CHEM 80S
[7] DIRAC-FOCK ONE-CENTER CALCULATIONS - MOLECULES CUH, AGH AND AUH INCLUDING P-TYPE SYMMETRY FUNCTIONS
DESCLAUX, JP
PYYKKO, P
[J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (02) : 300 - 303
[8] OPTIMIZED MEAN FIELDS FOR ATOMS .3. G-HARTREE MANY-BODY CALCULATIONS FOR SMALL-Z ATOMS
DIETZ, K
WEYMANS, G
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (15) : 2987 - 3002
[9] QUANTUM ELECTRODYNAMICAL CORRECTIONS TO FINE-STRUCTURE OF HELIUM
DOUGLAS, M
KROLL, NM
[J]. ANNALS OF PHYSICS, 1974, 82 (01) : 89 - 155
[10] ALL-ELECTRON AND VALENCE-ELECTRON CALCULATIONS ON AGH, AG-2, AND AGO
HAY, PJ
MARTIN, RL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (10) : 5174 - 5181