Self-consistent field wave function and localized orbitals for 2,4-dicarbaheptoborane(7). Fractional three-center bond

1972 ◽  
Vol 94 (25) ◽  
pp. 8692-8699 ◽  
Author(s):  
Dennis S. Marynick ◽  
William N. Lipscomb
Keyword(s):  
Wave Function ◽  
Localized Orbitals ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Field Wave

Hexaborane(10). Self-consistent field wave function, localized orbitals, and relations to chemical properties

1971 ◽  
Vol 10 (1) ◽  
pp. 171-181 ◽  
Author(s):  
William N. Lipscomb ◽  
Irving R. Epstein ◽  
John A. Tossell ◽  
Eugene Switkes ◽  
Richard Morton Stevens
Keyword(s):  
Wave Function ◽  
Chemical Properties ◽  
Localized Orbitals ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Field Wave

Quadratic response functions for a multiconfigurational self‐consistent field wave function

1992 ◽  
Vol 97 (2) ◽  
pp. 1174-1190 ◽  
Author(s):  
Hinne Hettema ◽  
Hans Jo/rgen Aa. Jensen ◽  
Poul Jo/rgensen ◽  
Jeppe Olsen
Keyword(s):  
Wave Function ◽  
Response Functions ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Quadratic Response ◽  
Field Wave

Application of the saddle-point variational method to self-consistent-field wave functions

2009 ◽  
Vol 24 (S17) ◽  
pp. 401-405
Author(s):  
William L. Luken ◽  
Joseph M. Leonard ◽  
John C. Culberson
Keyword(s):  
Variational Method ◽  
Saddle Point ◽  
Wave Functions ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Field Wave

ChemInform Abstract: SELF-CONSISTENT FIELD WAVE FUNCTIONS OF BORON HYDRIDES AND IONS, B8H12, B9H15, B6H6(2-), B10H10(2-), AND B10H14(2-)

1974 ◽  
Vol 5 (15) ◽  
pp. no-no
Author(s):  
JOHN H. JUN. HALL ◽  
DENNIS S. MARYNICK ◽  
WILLIAM N. LIPSCOMB
Keyword(s):  
Wave Functions ◽  
Boron Hydrides ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Field Wave

A priori complete active space self consistent field localized orbitals: an application on linear polyenes

2006 ◽  
Vol 104 (5-7) ◽  
pp. 691-700 ◽  
Author(s):  
Celestino Angeli ◽  
Manuel Sparta† ◽  
Renzo Cimiraglia
Keyword(s):  
A Priori ◽  
Localized Orbitals ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Linear Polyenes
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