A THEORETICAL-STUDY OF NIH - OPTICAL-SPECTRUM AND POTENTIAL CURVES

被引：59

作者：

BLOMBERG, MRA ^{[1
]}

SIEGBAHN, PEM ^{[1
]}

ROOS, BO ^{[1
]}

机构：

[1] UNIV LUND,CTR CHEM,DEPT PHYS CHEM 2,S-22007 LUND 7,SWEDEN

来源：

MOLECULAR PHYSICS | 1982年 / 47卷 / 01期

关键词：

D O I：

10.1080/00268978200100092

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：127 / 143

页数：17

相关论文

共 34 条

[21] MOLECULAR-COMPLEX MODEL FOR CHEMISORPTION OF HYDROGEN ON A NICKEL SURFACE
MELIUS, CF
MOSKOWITZ, JW
MORTOLA, AP
BAILLIE, MB
RATNER, MA
[J]. SURFACE SCIENCE, 1976, 59 (01) : 279 - 292
[22] Moore C.E., 1952, ATOMIC ENERGY LEVELS
[23] PETTERSSON LGM, UNPUB
[24] GAUSSIAN BASIS SETS FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS
ROOS, B
VEILLARD, A
VINOT, G
[J]. THEORETICA CHIMICA ACTA, 1971, 20 (01): : 1 - &
[25] A COMPLETE ACTIVE SPACE SCF METHOD (CASSCF) USING A DENSITY-MATRIX FORMULATED SUPER-CI APPROACH
ROOS, BO
TAYLOR, PR
SIEGBAHN, PEM
[J]. CHEMICAL PHYSICS, 1980, 48 (02) : 157 - 173
[26] THE SPECTRUM OF NIH - SOME NEW TRANSITIONS
SCULLMAN, R
LOFGREN, S
KADAVATHU, SA
[J]. PHYSICA SCRIPTA, 1982, 25 (02): : 295 - 301
[27] SCULLMAN R, 1981, COMMUNICATION
[28] COMPARISON OF THE SUPER-CL AND THE NEWTON-RAPHSON SCHEME IN THE COMPLETE ACTIVE SPACE SCF METHOD
SIEGBAHN, P
HEIBERG, A
ROOS, B
LEVY, B
[J]. PHYSICA SCRIPTA, 1980, 21 (3-4) : 323 - 327
[29] THE COMPLETE ACTIVE SPACE SCF (CASSCF) METHOD IN A NEWTON-RAPHSON FORMULATION WITH APPLICATION TO THE HNO MOLECULE
SIEGBAHN, PEM
ALMLOF, J
HEIBERG, A
ROOS, BO
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (04) : 2384 - 2396
[30] GENERALIZATIONS OF THE DIRECT CL METHOD BASED ON THE GRAPHICAL UNITARY GROUP-APPROACH .2. SINGLE AND DOUBLE REPLACEMENTS FROM ANY SET OF REFERENCE CONFIGURATIONS
SIEGBAHN, PEM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (03) : 1647 - 1656

← 1 2 3 4 →