ATOMS IN MOLECULES .1. A CHARGE CONSERVATION RULE FOR TAKING INTO ACCOUNT THE ORTHOGONALITY HOLE

被引：20

作者：

COLLE, R ^{[1
]}

FORTUNELLI, A ^{[1
]}

SALVETTI, O ^{[1
]}

机构：

[1] CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 80卷 / 06期

关键词：

D O I：

10.1063/1.447060

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：2654 / 2659

页数：6

相关论文

共 34 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
HAMANN, DR
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1982, 26 (08): : 4199 - 4228
[2] Barthelat J, 1978, GAZZ CHIM ITAL, V108, P225
[3] ENERGY-BAND STRUCTURE OF SOLIDS FROM A PERTURBATION ON THE EMPTY LATTICE
BASSANI, F
CELLI, V
[J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1961, 20 (1-2) : 64 - 75
[4] BONIFACIC V, 1975, J CHEM PHYS, V62, P1509, DOI 10.1063/1.430614
[5] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .2.
BONIFACIC, V
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) : 1507 - 1508
[6] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1.
BONIFACIC, V
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) : 2779 - 2786
[7] IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS
CHRISTIANSEN, PA
LEE, YS
PITZER, KS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) : 4445 - 4450
[8] COHEN ML, 1970, SOLID STATE PHYS, V24, P38
[9] MULTICONFIGURATION-SELF-CONSISTENT FIELD (MC-SCF) METHOD FOR EXCITED-STATES
COLLE, R
SALVETTI, O
[J]. MOLECULAR PHYSICS, 1982, 47 (04) : 959 - 972
[10] A GENERAL-METHOD FOR APPROXIMATING THE ELECTRONIC CORRELATION-ENERGY IN MOLECULES AND SOLIDS
COLLE, R
SALVETTI, O
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) : 1404 - 1407

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