ALL-ELECTRON CI CALCULATIONS FOR CORE-IONIZED, CORE-VALENCE EXCITED AND SHAKE-UP STATES OF N2

被引：72

作者：

BUTSCHER, W ^{[1
]}

BUENKER, RJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

机构：

[1] UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 52卷 / 03期

关键词：

D O I：

10.1016/0009-2614(77)80484-3

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：449 / 456

页数：8

共 23 条

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[5]

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[6] MODIFICATION OF DAVIDSONS METHOD FOR CALCULATION OF EIGENVALUES AND EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES - ROOT HOMING PROCEDURE [J].

BUTSCHER, W ;

KAMMER, WE .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 20 (03) :313-325

[7]

BUTSCHER W, UNPUBLISHED

[8] LOCALIZED AND DELOCALIZED CORE HOLES AND THEIR INTERRELATION [J].

CEDERBAUM, LS ;

DOMCKE, W .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (11) :5084-5086

[9] SOME THEORETICAL ASPECTS OF VIBRATIONAL FINE-STRUCTURE ACCOMPANYING CORE IONIZATIONS IN N2 AND CO [J].

CLARK, DT ;

MULLER, J .

THEORETICA CHIMICA ACTA, 1976, 41 (03) :193-215

[10]

CLARK DT, 1977, APPLICATIONS MO THEO, V2

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