A HARTREE-FOCK APPROACH TO ELECTRONIC-STRUCTURE OF NON-PERIODIC SYSTEMS

被引:7
作者
BARRIO, R [1 ]
TAGUENAMARTINEZ, J [1 ]
MARTINEZ, E [1 ]
YNDURAIN, F [1 ]
机构
[1] UNIV AUTONOMA MADRID,DEPT FIS FUNDAMENTAL,E-28049 MADRID,SPAIN
关键词
D O I
10.1016/0022-3093(85)90175-9
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
引用
收藏
页码:181 / 189
页数:9
相关论文
共 20 条
[1]   NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS [J].
BARTHELAT, JC ;
DURAND, P ;
SERAFINI, A .
MOLECULAR PHYSICS, 1977, 33 (01) :159-180
[2]  
BRODSKY MH, 1979, AMORPHOUS SEMICONDUC
[3]  
BULLETT DW, 1980, SOLID STATE PHYS, V35, P129
[4]  
DIAZ G, UNPUB
[5]   THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS [J].
DURAND, P ;
BARTHELAT, JC .
THEORETICA CHIMICA ACTA, 1975, 38 (04) :283-302
[6]   ELECTRONIC-STRUCTURE BASED ON LOCAL ATOMIC ENVIRONMENT FOR TIGHT-BINDING BANDS .2. [J].
HAYDOCK, R ;
HEINE, V ;
KELLY, MJ .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1975, 8 (16) :2591-2605
[7]   ELECTRONIC-STRUCTURE BASED ON LOCAL ATOMIC ENVIRONMENT FOR TIGHT-BINDING BANDS [J].
HAYDOCK, R ;
HEINE, V ;
KELLY, MJ .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1972, 5 (20) :2845-&
[8]  
Heine V., 1981, SOLID STATE PHYS, V35, P1
[9]   RANDOM TETRAHEDRAL NETWORK WITH PERIODIC BOUNDARY-CONDITIONS [J].
HENDERSO.D .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1974, 16 (02) :317-320
[10]  
Joannopoulos J., 1976, SOLID STATE PHYS, V31, P71