DIRECT THEORETICAL ABINITIO CALCULATIONS IN EXCHANGE COUPLED COPPER(II) DIMERS - INFLUENCE OF THE CHOICE OF THE ATOMIC BASIS SET ON THE SINGLET TRIPLET SPLITTING IN MODELED AND REAL COPPER DIMERS

被引：48

作者：

DELOTH, P

DAUDEY, JP

ASTHEIMER, H

WALZ, L

HAASE, W

机构：

[1] TH DARMSTADT,INST PHYS CHEM,PETERSENSTR 20,D-6100 DARMSTADT,FED REP GER

[2] UNIV TOULOUSE 3,CNRS,CHIM COORDINAT LAB,F-31400 TOULOUSE,FRANCE

[3] UNIV TOULOUSE 3,CNRS,ERA 821,PHYS QUANT LAB,F-31400 TOULOUSE,FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 11期

关键词：

D O I：

10.1063/1.448626

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：5048 / 5052

页数：5

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