SELF-CONSISTENT DETERMINATION OF ION AND NEUTRAL MOLECULE WAVEFUNCTIONS IN A THEORY OF ELECTRON AFFINITIES AND IONIZATION-POTENTIALS

被引：45

作者：

SIMONS, J ^{[1
]}

机构：

[1] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 25卷 / 01期

关键词：

D O I：

10.1016/0009-2614(74)80348-9

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

页码：122 / 128

页数：7

共 19 条

[1]

ALTICK PL, 1964, PHYS REV, V133, P632

[2] NONEMPIRICAL CALCULATIONS ON EXCITED STATES - FORMALDEHYDE MOLECULE [J].

DUNNING, TH ;

MCKOY, V .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (11) :5263-&

[3] NONEMPIRICAL CALCULATIONS ON EXCITED STATES - ETHYLENE MOLECULE [J].

DUNNING, TH ;

MCKOY, V .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) :1735-&

[4] HYPERVIRIAL THEOREMS FOR VARIATIONAL WAVE FUNCTIONS [J].

EPSTEIN, ST ;

HIRSCHFELDER, JO .

PHYSICAL REVIEW, 1961, 123 (04) :1495-&

[5]

Fetter AL., 1971, QUANTUM THEORY MANY

[6] Quantum-theoretical reinterpretation of kinematic and mechanical connections [J].

Heisenberg, W .

ZEITSCHRIFT FUR PHYSIK, 1925, 33 :879-893

[7]

HIRSCHFELDER JO, 1960, J CHEM PHYS, V33, P1762

[8]

HIRSCHFELDER JO, 1964, ADV QUANTUM CHEM, V1, P304

[9]

HIRSCHFELDER JO, 1964, ADV QUANTUM CHEM, V1, P255

[10] COMPARATIVE STUDY OF RANDOM-PHASE APPROXIMATION, HARTREE-FOCK AND SINGLE EXCITED CONFIGURATION-INTERACTION METHODS OF COMPUTING EXCITATION PROPERTIES OF SOME MOLECULES [J].

HO, JC ;

SEGAL, GA ;

TAYLOR, HS .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1520-+

← 1 2 →