A PROPOSAL FOR THE PROPER USE OF PSEUDOPOTENTIALS - REPLY

被引：5

作者：

BAGUS, PS

NELIN, CJ

BAUSCHLICHER, CW

LASKOWSKI, BC

SEEL, M

机构：

[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

[2] UNIV ERLANGEN NURNBERG,LEHRSTUHL THEORET CHEM,D-8520 ERLANGEN,FED REP GER

[3] ANALATOM INC,SUNNYVALE,CA 94089

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 02期

关键词：

D O I：

10.1063/1.449461

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：914 / 915

页数：2

共 9 条

[1] THE ORIGIN OF THE SHIFT IN THE C-O VIBRATION OF CHEMISORBED CO - CLUSTER MODEL STUDIES FOR CO/CU(100) [J].

BAGUS, PS ;

MULLER, W .

CHEMICAL PHYSICS LETTERS, 1985, 115 (06) :540-544

[2] THE NATURE OF THE METAL CO INTERACTION AND BONDING [J].

BAGUS, PS ;

NELIN, CJ ;

BAUSCHLICHER, CW .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1984, 2 (02) :905-909

[3] A PROPOSAL FOR THE PROPER USE OF PSEUDOPOTENTIALS IN MOLECULAR-ORBITAL CLUSTER MODEL STUDIES OF CHEMISORPTION [J].

BAGUS, PS ;

BAUSCHLICHER, CW ;

NELIN, CJ ;

LASKOWSKI, BC ;

SEEL, M .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3594-3602

[4] A NEW ANALYSIS OF CHARGE-TRANSFER AND POLARIZATION FOR LIGAND-METAL BONDING - MODEL STUDIES OF AL4CO AND AL4NH3 [J].

BAGUS, PS ;

HERMANN, K ;

BAUSCHLICHER, CW .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :4378-4386

[5] ON THE NATURE OF THE BONDING OF LONE PAIR LIGANDS TO A TRANSITION-METAL [J].

BAGUS, PS ;

HERMANN, K ;

BAUSCHLICHER, CW .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) :1966-1974

[6]

BAGUS PS, CHEM PHYS LETT

[7]

Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X

[8] A PROPOSAL FOR THE PROPER USE OF PSEUDOPOTENTIALS IN MOLECULAR-ORBITAL CLUSTER MODEL STUDIES OF CHEMISORPTION - COMMENT [J].

IGELMANN, G ;

STOLL, H .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (02) :913-913

[9]

SCHAEFER HF, 1972, ELECTRONIC STRUCTURE

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