PSEUDOPOTENTIAL STUDIES OF WATER AND HYDROGEN-FLUORIDE MOLECULES

被引：32

作者：

SIMONS, G ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 18卷 / 03期

关键词：

D O I：

10.1016/0009-2614(73)80177-0

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

页码：315 / 318

页数：4

共 21 条

[1] Pseudopotential calculations of alkali interactions [J].

Bardsley, J. N. .

CHEMICAL PHYSICS LETTERS, 1970, 7 (05) :517-520

[2] PSEUDOPOTENTIALS AND LOCALIZED MOLECULAR-ORBITALS - APPLICATION TO METHANE MOLECULE [J].

BARTHELAT, JC ;

DURAND, P .

CHEMICAL PHYSICS LETTERS, 1972, 16 (01) :63-+

[3] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].

CLEMENTI, E .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&

[4] ATOMIC AND MOLECULAR CALCULATIONS WITH PSEUDOPOTENTIAL METHOD .4. EXCITED ATOMIC VALENCE-ELECTRON ENERGY VALUES WAVEFUNCTIONS AND OSCILLATOR STRENGTHS [J].

MCGINN, G .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1404-&

[5] ATOMIC AND MOLECULAR CALCULATIONS WITH PSEUDOPOTENTIAL METHOD .V. 2-VALENCE-ELECTRON ENERGY VALUES AND OSCILLATOR STRENGTHS FOR SOME (NS)2 GROUND STATES AND (NSML) SINGLY EXCITED STATES [J].

MCGINN, G .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (11) :5090-&

[6] THEORETICAL CALCULATION OF VIBRATIONAL SPECTRA OF SOME XHN TYPE MOLECULES [J].

MENNA, E ;

MOCCIA, R ;

RANDACCI.L .

THEORETICA CHIMICA ACTA, 1966, 4 (05) :408-+

[7] 1-CENTER BASIS SET SCF MOS .3. H20, H2S, + HCL [J].

MOCCIA, R .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) :2186-&

[8] 1-CENTER BASIS SET SCF MOS .I. HF, CH4, + SIH4 [J].

MOCCIA, R .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) :2164-&

[9]

MOORE CE, 1958, NBS467 CIRC

[10]

MOORE CE, 1952, NBS467 CIRC

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