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
[11]   ABINITIO STUDIES ON HYDROGEN-BONDED CHAINS .2. EQUILIBRIUM GEOMETRY AND VIBRATIONAL-SPECTRA OF THE BENT CHAIN OF HYDROGEN-FLUORIDE MOLECULES [J].
BEYER, A ;
KARPFEN, A .
CHEMICAL PHYSICS, 1982, 64 (03) :343-357
[12]   A SIMPLE SELF-CONSISTENT ELECTROSTATIC-FIELD APPROXIMATION FOR NEIGHBOR STRAND INTERACTIONS IN BAND-STRUCTURE CALCULATIONS [J].
BOHM, MC .
CHEMICAL PHYSICS LETTERS, 1982, 89 (02) :126-130
[13]   DO ELECTROSTATIC INTERACTIONS PREDICT STRUCTURES OF VANDERWAALS MOLECULES [J].
BUCKINGHAM, AD ;
FOWLER, PW .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) :6426-6428
[14]   A MODEL FOR THE GEOMETRIES OF VANDERWAALS COMPLEXES [J].
BUCKINGHAM, AD ;
FOWLER, PW .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :2018-2025
[15]   ELECTROSTATIC LATTICE ENERGY IN IONIC-CRYSTALS - OPTIMIZATION OF CONVERGENCE OF EWALD SERIES [J].
CATTI, M .
ACTA CRYSTALLOGRAPHICA SECTION A, 1978, 34 (NOV) :974-979
[16]   SELF-CONSISTENT FIELD-THEORY OF SOLVENT EFFECTS REPRESENTATION BY CONTINUUM MODELS - INTRODUCTION OF DESOLVATION CONTRIBUTION [J].
CONSTANCIEL, R ;
CONTRERAS, R .
THEORETICA CHIMICA ACTA, 1984, 65 (01) :1-11
[17]   APPLICATIONS OF EWALD METHOD .1. CALCULATION OF MULTIPOLE LATTICE SUMS [J].
CUMMINS, PG ;
DUNMUR, DA ;
MUNN, RW ;
NEWHAM, RJ .
ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (SEP1) :847-853
[18]   MULTIPOLE EXPANSION IN TIGHT-BINDING HARTREE-FOCK CALCULATIONS FOR INFINITE-MODEL POLYMERS [J].
DELHALLE, J ;
PIELA, L ;
BREDAS, JL ;
ANDRE, JM .
PHYSICAL REVIEW B, 1980, 22 (12) :6254-6267
[19]   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-&
[20]   TREATMENT OF COULOMB INTERACTIONS IN HARTREE-FOCK CALCULATIONS OF PERIODIC-SYSTEMS [J].
DOVESI, R ;
PISANI, C ;
ROETTI, C ;
SAUNDERS, VR .
PHYSICAL REVIEW B, 1983, 28 (10) :5781-5792
123456