ON THE VALIDITY OF THE EQUIVALENT CORE APPROXIMATION IN BORN-HABER ANALYSES OF LIQUIDS AND SOLUTIONS

被引:14
作者
AGREN, H [1 ]
MEDINALLANOS, C [1 ]
MIKKELSEN, KV [1 ]
JENSEN, HJA [1 ]
机构
[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS C,DENMARK
关键词
D O I
10.1016/0009-2614(88)80149-0
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:322 / 327
页数:6
相关论文
共 33 条
[1]   A SELF-CONSISTENT REACTION FIELD APPROACH TO LIQUID PHOTOIONIZATION [J].
AGREN, H ;
LLANOS, CM ;
MIKKELSEN, KV .
CHEMICAL PHYSICS, 1987, 115 (01) :43-55
[2]   SCF AND LIMITED CI CALCULATIONS FOR ASSIGNMENT OF AUGER SPECTRUM AND OF SATELLITES IN SOFT-X-RAY SPECTRUM OF H2O [J].
AGREN, H ;
SVENSSON, S ;
WAHLGREN, UI .
CHEMICAL PHYSICS LETTERS, 1975, 35 (03) :336-344
[3]  
AGREN H, UNPUB
[4]   STRUCTURE OF CYCLOHEXANE DETERMINED BY 2 INDEPENDENT GAS ELECTRON-DIFFRACTION INVESTIGATIONS [J].
BASTIANSEN, O ;
FERNHOLT, L ;
SEIP, HM ;
KAMBARA, H ;
KUCHITSU, K .
JOURNAL OF MOLECULAR STRUCTURE, 1973, 18 (02) :163-168
[5]  
Best P. E., 1972, J CHEM PHYS, V49, P2797
[6]  
CARSKY P, 1977, COLLECT CZECH CHEM C, V42, P1460
[7]   RELAXATION CORRECTION TO CORE-LEVEL BINDING-ENERGY SHIFTS IN SMALL MOLECULES [J].
DAVIS, DW ;
SHIRLEY, DA .
CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :185-+
[8]  
DUNNING TH, 1977, MODERN THEORETICAL C, V3, pCH1
[9]   EXPERIMENTAL-DETERMINATION OF ABSOLUTE HALF-CELL EMFS AND SINGLE ION FREE-ENERGIES OF SOLVATION [J].
GOMER, R ;
TRYSON, G .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4413-4424
[10]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+