ABINITIO CL CALCULATION OF THE EFFECTS OF RYDBERG-VALENCE MIXING IN THE ELECTRONIC-SPECTRUM OF THE HF MOLECULE

被引：63

作者：

BETTENDORFF, M ^{[1
]}

BUENKER, RJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

ROMELT, J ^{[1
]}

机构：

[1] UNIV GESAMTH HSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER

来源：

ZEITSCHRIFT FUR PHYSIK A-HADRONS AND NUCLEI | 1982年 / 304卷 / 02期

关键词：

D O I：

10.1007/BF01414727

中图分类号：

O57 [原子核物理学、高能物理学];

学科分类号：

070202 ;

摘要：

引用

页码：125 / 135

页数：11

共 41 条

[1] MCSCF CALCULATIONS OF PROPERTIES OF HYDROGEN-FLUORIDE
AMOS, RD
[J]. MOLECULAR PHYSICS, 1978, 35 (06) : 1765 - 1775
[2] EXPERIMENTAL POTENTIAL ENERGY CURVES FOR X2-PI AND 2-SIGMA+ STATES OF HF+
BERKOWITZ, J
[J]. CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) : 21 - +
[3] BETTENDORFF M, 1982, CHEM PHYS
[4] THEORETICAL POTENTIAL-ENERGY CURVES FOR OH, HF+, HF, HF-, NEH+, AND NEH
BONDYBEY, V
SCHAEFER, HF
PEARSON, PK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) : 1123 - &
[5] BRUNA PJ, 1980, SEP P NATO SUMM I MO
[6] Ionization and dissociation energies of HF and DF and their bearing on D degrees(0) (F-2)
Brundle, C. R.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (03) : 317 - 322
[7] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
BUENKER, RJ
PEYERIMH.SD
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
[8] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
PEYERIMHOFF, SD
BUTSCHER, W
[J]. MOLECULAR PHYSICS, 1978, 35 (03) : 771 - 791
[9] AB-INITIO VIBRATIONAL ANALYSIS OF SCHUMANN-RUNGE BANDS AND NEIGHBORING ABSORPTION REGION OF MOLECULAR-OXYGEN
BUENKER, RJ
PEYERIMHOFF, SD
PERIC, M
[J]. CHEMICAL PHYSICS LETTERS, 1976, 42 (02) : 383 - 389
[10] AB-INITIO STUDY OF MIXING OF VALENCE AND RYDBERG STATES IN O2 - CI POTENTIAL CURVES FOR SIGMA-3(U)-, DELTA-3(U) AND PI-3(U) STATES
BUENKER, RJ
PEYERIMHOFF, SD
[J]. CHEMICAL PHYSICS LETTERS, 1975, 34 (02) : 225 - 231

← 1 2 3 4 5 →