CORRELATION CORRECTION TO THE HARTREE-FOCK TOTAL ENERGY OF SOLIDS .2.

被引：27
作者：
CAUSA, M
COLLE, R
DOVESI, R
FORTUNELLI, A
PISANI, C
机构：
[1] SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
[2] CNR,IST CHIM QUANTIST MOLEC,I-56100 PISA,ITALY
来源：
PHYSICA SCRIPTA | 1988年 / 38卷 / 02期
关键词：
D O I：
10.1088/0031-8949/38/2/016
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
引用
收藏
页码：194 / 198
页数：5
相关论文
共 31 条
[1]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[2]   ELECTRONIC-STRUCTURE AND STABILITY OF DIFFERENT CRYSTAL PHASES OF MAGNESIUM-OXIDE [J].
CAUSA, M ;
DOVESI, R ;
PISANI, C ;
ROETTI, C .
PHYSICAL REVIEW B, 1986, 33 (02) :1308-1316
[3]   CORRELATION CORRECTION TO THE HARTREE-FOCK TOTAL ENERGY OF SOLIDS [J].
CAUSA, M ;
DOVESI, R ;
PISANI, C ;
COLLE, R ;
FORTUNELLI, A .
PHYSICAL REVIEW B, 1987, 36 (02) :891-897
[4]  
CAUSA M, IN PRESS J PHYS CHEM
[5]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[6]   CORRELATION ENERGY FOR ATOMIC SYSTEMS [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) :2248-&
[7]   A GENERAL-METHOD FOR APPROXIMATING THE ELECTRONIC CORRELATION-ENERGY IN MOLECULES AND SOLIDS [J].
COLLE, R ;
SALVETTI, O .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1404-1407
[8]   APPROXIMATE CALCULATION OF THE CORRELATION ENERGY FOR THE CLOSED AND OPEN-SHELLS [J].
COLLE, R ;
SALVETTI, O .
THEORETICA CHIMICA ACTA, 1979, 53 (01) :55-63
[9]   APPROXIMATE CALCULATION OF CORRELATION ENERGY FOR CLOSED SHELLS [J].
COLLE, R ;
SALVETTI, O .
THEORETICA CHIMICA ACTA, 1975, 37 (04) :329-334
[10]   THERMOCHEMICAL DATA FROM ABINITIO CALCULATIONS .1. ESTIMATION OF SCF ENERGIES FOR AUGMENTED BASIS-SETS AND HARTREE-FOCK LIMIT ENERGIES [J].
CREMER, D .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (02) :154-164
1234