ASYMPTOTIC-BEHAVIOR OF ATOMIC AND MOLECULAR WAVE-FUNCTIONS

被引：270

作者：

KATRIEL, J ^{[1
]}

DAVIDSON, ER ^{[1
]}

机构：

[1] UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195

来源：

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-PHYSICAL SCIENCES | 1980年 / 77卷 / 08期

关键词：

D O I：

10.1073/pnas.77.8.4403

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

引用

页码：4403 / 4406

页数：4

共 14 条

[1] LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY [J].

AHLRICHS, R .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2706-2707

[2] EIGENVALUES OF DENSITY MATRICES [J].

CARLSON, BC ;

KELLER, JM .

PHYSICAL REVIEW, 1961, 121 (03) :659-&

[3] PIECEWISE POLYNOMIAL CONFIGURATION INTERACTION NATURAL ORBITAL STUDY OF 1S2-HELIUM [J].

CARROLL, DP ;

SILVERSTONE, HJ ;

METZGER, RM .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (10) :4142-4163

[4]

Davidson E, 1976, REDUCED DENSITY MATR

[5] NATURAL EXPANSIONS OF EXACT WAVEFUNCTIONS .3. HELIUM-ATOM GROUND STATE [J].

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (04) :875-&

[6] LONG-RANGE BEHAVIOR OF HARTREE-FOCK ORBITALS [J].

HANDY, NC ;

MARRON, MT ;

SILVERSTONE, HJ .

PHYSICAL REVIEW, 1969, 180 (01) :45-+

[7] SCHRODINGER INEQUALITIES AND ASYMPTOTIC-BEHAVIOR OF ELECTRON-DENSITY OF ATOMS AND MOLECULES [J].

HOFFMANNOSTENHOF, M ;

HOFFMANNOSTENHOF, T .

PHYSICAL REVIEW A, 1977, 16 (05) :1782-1785

[8] POWER SERIES REPRESENTATION OF GENERALIZED OSCILLATOR STRENGTHS [J].

LASSETTRE, EN .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (12) :4479-+

[9] LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY - REPLY [J].

LEVY, M ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2707-2708

[10] CALCULATION OF IONIZATION-POTENTIALS FROM DENSITY MATRICES AND NATURAL FUNCTIONS, AND LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY [J].

MORRELL, MM ;

PARR, RG ;

LEVY, M .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (02) :549-554

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