ON THE GAUSSIAN-TYPE ORBITALS APPROACH TO LOCAL DENSITY FUNCTIONAL THEORY

被引：62

作者：

DUNLAP, BI ^{[1
]}

ROSCH, N ^{[1
]}

机构：

[1] TECH UNIV MUNICH,LEHRSTUHL THEORET CHEM,D-8046 GARCHING,FED REP GER

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1989年 / 86卷 / 04期

关键词：

D O I：

10.1051/jcp/1989860671

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

收藏

页码：671 / 688

页数：18

相关论文

共 47 条

[1] BOERRIGTER PM, 1987, THESIS FREE U AMSTER
[2] ENERGY BANDS IN FERROMAGNETIC NICKEL
CONNOLLY, JW
[J]. PHYSICAL REVIEW, 1967, 159 (02): : 415 - &
[3] MAGNETIC-BEHAVIOR OF FREE-IRON AND IRON-OXIDE CLUSTERS
COX, DM
TREVOR, DJ
WHETTEN, RL
ROHLFING, EA
KALDOR, A
[J]. PHYSICAL REVIEW B, 1985, 32 (11) : 7290 - 7298
[4] BULK PROPERTIES OR NOT - THE ELECTRONIC-STRUCTURE OF SMALL METAL-CLUSTERS
DEMUYNCK, J
ROHMER, MM
STRICH, A
VEILLARD, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (07) : 3443 - 3453
[5] AN EXTENDED BASIS SET LCAO CHI-ALPHA TREATMENT OF NIH AND NI2
DUNLAP, BI
YU, HL
[J]. CHEMICAL PHYSICS LETTERS, 1980, 73 (03) : 525 - 529
[6] BASIS SET EFFECTS ON SPECTROSCOPIC CONSTANTS FOR C-2 AND SI-2 AND THE SYMMETRY DILEMMA IN THE X-ALPHA MODEL
DUNLAP, BI
MEI, WN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (08) : 4997 - 5003
[7] SYMMETRY AND SPIN-DENSITY FUNCTIONAL THEORY
DUNLAP, BI
[J]. CHEMICAL PHYSICS, 1988, 125 (01) : 89 - 97
[8] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 4993 - 4999
[9] SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) : 3396 - 3402
[10] LCAO-X-ALPHA CALCULATIONS OF ROTATIONAL ENERGY BARRIERS - PROTOTYPES OF CHEMICAL-REACTIONS
DUNLAP, BI
COOK, M
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (04) : 767 - 777

← 1 2 3 4 5 →