AB-INITIO CRYSTAL ORBITAL STUDIES ON LINEAR-CHAINS OF H-ATOMS

被引:33
作者
KERTESZ, M
KOLLER, J
AZMAN, A
机构
[1] HUNGARIAN ACAD SCI, CENT RES INST CHEM, BUDAPEST, HUNGARY
[2] UNIV LJUBLJANA, CHEM INST BORIS KIDRIC, DEPT CHEM, POB 537, 61001 LJUBLJANA, YUGOSLAVIA
来源
THEORETICA CHIMICA ACTA | 1976年 / 41卷 / 01期
关键词
D O I
10.1007/BF00558027
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:89 / 91
页数:3
相关论文
共 8 条
[1]   SELF-CONSISTENT FIELD THEORY FOR ELECTRONIC STRUCTURE OF POLYMERS [J].
ANDRE, JM .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1536-&
[2]   DIFFERENT ORBITALS FOR DIFFERENT SPINS IN AN INFINITE CHAIN OF HYDROGEN ATOMS [J].
BERGGEN, KF ;
MARTINO, F .
PHYSICAL REVIEW, 1969, 184 (02) :484-&
[3]  
CALAIS JL, 1965, ARK FYS, V28, P511
[4]   SELF-CONSISTENT-FIELD TIGHT-BINDING TREATMENT OF POLYMERS .I. INFINITE 3-DIMENSIONAL CASE [J].
DELRE, G ;
LADIK, J ;
BICZO, G .
PHYSICAL REVIEW, 1967, 155 (03) :997-&
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[6]   COMPLETE CALCULATIONS OF ELECTRONIC ENERGIES OF SOLIDS [J].
HARRIS, FE ;
MONKHORST, HJ .
PHYSICAL REVIEW LETTERS, 1969, 23 (18) :1026-+
[7]   BROKEN-SYMMETRY (SPIN-RESTRICTED) HARTREE-FOCK CRYSTAL ORBITALS IN AN INFINITE ONE-DIMENSIONAL MODEL [J].
KERTESZ, M .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1975, 69 (02) :K141-K144
[8]  
KRISLOW DH, 1974, PHYS REV LETT, V32, P933