THE MAXIMUM OVERLAP METHOD - A GENERAL AND EFFICIENT SCHEME FOR REDUCING BASIS-SETS - APPLICATION TO THE GENERATION OF APPROXIMATE AOS FOR THE 3D TRANSITION-METAL ATOMS AND IONS

被引:19
作者
FRANCISCO, E
SEIJO, L
PUEYO, L
机构
[1] Univ de Oviedo, Oviedo, Spain, Univ de Oviedo, Oviedo, Spain
关键词
D O I
10.1016/0022-4596(86)90196-9
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
MATHEMATICAL TECHNIQUES
引用
收藏
页码:391 / 400
页数:10
相关论文
共 20 条
[1]   BASIS SET GENERATION FOR THE SCF CALCULATION [J].
ADAMOWICZ, L .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (04) :545-551
[2]   MOLECULAR-BASIS SET GENERATION - ACCURATE SLATER BASIS-SETS FOR LIH- GROUND AND EXCITED-STATE AND LI-2-GROUND STATE [J].
ADAMOWICZ, L ;
MCCULLOUGH, EA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 24 (01) :19-23
[3]  
Bashkin S., 1981, ATOMIC ENERGY LEVELS, VIII
[4]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[5]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[6]   TERM ANALYSIS OF FE-IV [J].
EKBERG, JO ;
EDLEN, B .
PHYSICA SCRIPTA, 1978, 18 (02) :107-124
[7]   BASIS-SET EFFECTS IN THE QUANTUM-MECHANICAL DESCRIPTION OF TRANSITION-METAL COMPLEXES [J].
HEIJSER, W ;
BAERENDS, EJ ;
ROS, P .
JOURNAL OF MOLECULAR STRUCTURE, 1980, 63 (01) :109-120
[8]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[9]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2. [J].
HUZINAGA, S ;
SAKAI, Y .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1371-&