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

被引：22
作者：
BARANDIARAN, Z
PUEYO, L
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1983年 / 79卷 / 04期
关键词：
D O I：
10.1063/1.445971
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：1926 / 1932
页数：7
相关论文
共 17 条
[1]   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
[2]   AUTO-SHAPING OF PIGEONS KEY-PECK [J].
BROWN, PL ;
JENKINS, HM .
JOURNAL OF THE EXPERIMENTAL ANALYSIS OF BEHAVIOR, 1968, 11 (01) :1-&
[3]   TRANSITION-ELEMENT HEXAFLUORIDE SYSTEMS IN IONIC LATTICES - A SUHF MOLECULAR ORBITAL STUDY [J].
BROWN, RD ;
BURTON, PG .
THEORETICA CHIMICA ACTA, 1970, 18 (04) :309-+
[4]   THEORY OF TRANSITION-METAL COMPLEXES - UNRESTRICTED HARTREE-FOCK MOLECULAR-ORBITAL METHOD AND ITS APPLICATION TO KNIF3 [J].
ELLIS, DE ;
FREEMAN, AJ ;
ROS, P .
PHYSICAL REVIEW, 1968, 176 (02) :688-&
[5]   CORRECTION [J].
FERGUSON, J ;
KNOX, K ;
WOOD, DL .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (01) :193-&
[6]   EFFECT OF NEXT NEAREST NEIGHBOR IONS ON CRYSTAL FIELD SPLITTING OF TRANSITION METAL IONS IN CRYSTALS [J].
FERGUSON, J ;
KNOX, K ;
WOOD, DL .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (06) :2236-&
[7]   CRYSTAL-FIELD SPECTRA OF D3,7 IONS .7. CR3+ IN K2NAGAF6 [J].
FERGUSON, J ;
GUGGENHEIM, HJ ;
WOOD, DL .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :504-+
[8]   LIMITED-BASIS-SET HARTREE-FOCK THEORY OF NIF64- [J].
GLADNEY, HM ;
VEILLARD, A .
PHYSICAL REVIEW, 1969, 180 (02) :385-&
[9]  
Kamimura H., 1970, MULTIPLETS TRANSITIO
[10]   THE PREPARATION AND STRUCTURE OF K2NACRF6, K2NAFEF6 AND K2NAGAF6 [J].
KNOX, K ;
MITCHELL, DW .
JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1961, 21 (3-4) :253-258
12