ELECTROSTATIC INTERACTIONS IN 3-DIMENSIONAL SOLIDS - SELF-CONSISTENT MADELUNG POTENTIAL (SCMP) APPROACH

被引：34
作者：
ANGYAN, JG
SILVI, B
机构：
[1] CHINOIN PHARMACEUT & CHEM WORKS LTD,POB 110,H-1325 BUDAPEST,HUNGARY
[2] UNIV PARIS 06,CHIM PHYS LAB,F-75230 PARIS 05,FRANCE
[3] UNIV PARIS 06,SPECTROCHIM MOLEC LAB,F-75230 PARIS 05,FRANCE
来源：
JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 12期
关键词：
D O I：
10.1063/1.452343
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：6957 / 6966
页数：10
相关论文
共 52 条
[1]   NON-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS FOR HYDROGEN-BONDED MOLECULAR-SOLIDS - MOLECULAR DIPOLE AND QUADRUPOLE-MOMENTS FOR SOLID HF AND HCL [J].
ANDERSON, SG ;
SANTRY, DP .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (10) :5780-5784
[2]  
ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451
[3]  
ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P427
[4]  
ANGYAN JG, UNPUB
[5]  
[Anonymous], MOL INTERACTIONS
[6]   THE CRYSTAL STRUCTURE OF HYDROGEN FLUORIDE [J].
ATOJI, M ;
LIPSCOMB, WN .
ACTA CRYSTALLOGRAPHICA, 1954, 7 (02) :173-175
[7]  
AYED O, 1986, J MOL STRUC-THEOCHEM, V135, P159
[8]   MOLECULAR-ORBITAL THEORY FOR INFINITE SYSTEMS - HYDROGEN-BONDED MOLECULAR-CRYSTALS [J].
BACON, J ;
SANTRY, DP .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2011-&
[9]   EFFECTS OF A PARTIAL RELAXATION OF THE CRYSTAL-LATTICE ON THE CALCULATION OF THE ELECTRONIC-STRUCTURE OF CRF63- IN ISOLATED-CLUSTER AND SHARED-CLUSTER CRYSTALS [J].
BARANDIARAN, Z ;
PUEYO, L .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :1926-1932
[10]   THE CLUSTER LATTICE INTERACTION IN THE CALCULATION OF THE ELECTRONIC-STRUCTURE OF CRF6(3-) IN K2NACRF6 [J].
BARANDIARAN, Z ;
PUEYO, L ;
BELTRAN, FG .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) :4612-4618
123456