ELECTRONIC-STRUCTURE OF MOLECULES HAVING ARBITRARY BOUNDARIES

被引:3
作者
SCHEIRE, L [1 ]
PHARISEAU, P [1 ]
机构
[1] RIJKS UNIV GHENT,SEMINARIE WISKUNDIGE NATUURKUNDE,KRIJGSLAAN 271-S9,B9000 GHENT,BELGIUM
关键词
D O I
10.1002/qua.560090511
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:887 / 900
页数:14
相关论文
共 9 条
[1]   CALCULATION OF IONIZATION ENERGIES OF SULPHUR HEXAFLUORIDE MOLECULE BY MULTIPLE SCATTERING METHOD [J].
CONNOLLY, JW ;
JOHNSON, KH .
CHEMICAL PHYSICS LETTERS, 1971, 10 (05) :616-&
[2]   SOLUTION OF SCHRODINGER AND RELATED EQUATIONS FOR IRREGULAR AND COMPOSITE REGIONS [J].
EYGES, L .
ANNALS OF PHYSICS, 1973, 81 (02) :567-590
[3]  
HERMAN F, IN PRESS
[4]   MULTIPLE-SCATTERING MODEL FOR POLYATOMIC MOLECULES [J].
JOHNSON, KH .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) :3085-&
[5]   CHEMICAL BONDING OF A MOLECULAR TRANSITION-METAL ION IN A CRYSTALLINE ENVIRONMENT [J].
JOHNSON, KH ;
SMITH, FC .
PHYSICAL REVIEW B, 1972, 5 (03) :831-&
[6]  
MESSIAH A, 1965, MECANIQUE QUANTIQUE, V1, P297
[7]  
SCHEIRE L, 1974, PHYSICA, V74, P596
[8]   SCATTERING MODEL OF MOLECULAR ELECTRONIC STRUCTURE [J].
SMITH, FC ;
JOHNSON, KH .
PHYSICAL REVIEW LETTERS, 1969, 22 (22) :1168-&
[9]   NON-MUFFIN-TIN ENERGY BANDS FOR SILICON BY KORRINGA-KOHN-ROSTOKER METHOD [J].
WILLIAMS, AR .
PHYSICAL REVIEW B, 1970, 1 (08) :3417-&