A MODIFIED EFFECTIVE CORE POTENTIAL FOR THE COPPER ATOM - LOW-ENERGY ELECTRONIC STATES OF CUO

被引：22

作者：

BASCH, H ^{[1
]}

OSMAN, R ^{[1
]}

机构：

[1] CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029

来源：

CHEMICAL PHYSICS LETTERS | 1982年 / 93卷 / 01期

关键词：

D O I：

10.1016/0009-2614(82)85054-9

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

页码：51 / 55

页数：5

共 20 条

[1] THE SPECTRUM OF CUO - LOW-LYING ELECTRONIC STATES OBSERVED BY LASER-INDUCED FLUORESCENCE [J].

APPELBLAD, O ;

LAGERQVIST, A ;

RENHORN, I .

PHYSICA SCRIPTA, 1980, 22 (06) :603-608

[2] ON CORRELATION IN THE 1ST ROW TRANSITION-METAL ATOMS [J].

BAUSCHLICHER, CW ;

WALCH, SP ;

PARTIDGE, H .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (02) :1033-1039

[3] VALENCE CORRELATION IN THE S2DN, SDN+1, AND DN+2 STATES OF THE 1ST-ROW TRANSITION-METAL ATOMS [J].

BOTCH, BH ;

DUNNING, TH ;

HARRISON, JF .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (07) :3466-3476

[4]

COHEN D, COMMUNICATION

[5] ABINITIO COMPUTATIONS ON SMALL COPPER COMPOUNDS-CUO [J].

DENBOER, DHW ;

KALEVELD, EW .

CHEMICAL PHYSICS LETTERS, 1980, 69 (02) :389-395

[6]

HUBER KP, 1979, CONSTANTS DIATOMIC M, P208

[7] ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS [J].

KAHN, LR ;

BAYBUTT, P ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) :3826-3853

[8] ROTATIONAL ANALYSIS OF A RED ALPHA'(SIGMA+)2-CHI(PIIOTA)2 SYSTEM OF CUO [J].

LEFEBVRE, Y ;

PINCHEMEL, B ;

SCHAMPS, J .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 68 (01) :81-88

[9]

MOORE CE, 1949, NBS467 CIRC

[10]

OSMAN R, 1981, AM C THEORETICAL CHE

← 1 2 →