Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

1990 ◽  
Vol 77 (5) ◽  
pp. 291-306 ◽  
Author(s):  
Per-Olof Widmark ◽  
Per-�ke Malmqvist ◽  
Bj�rn O. Roos
Keyword(s):  
Density Matrix ◽  
Wave Functions ◽  
Basis Sets ◽  
Natural Orbital ◽  
Atomic Natural Orbital

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

1995 ◽  
Vol 90 (2) ◽  
pp. 87 ◽  
Author(s):  
Kristine Pierloot ◽  
Birgit Dumez ◽  
Per-Olof Widmark ◽  
Björn O. Roos
Keyword(s):  
Density Matrix ◽  
Wave Functions ◽  
Basis Sets ◽  
Natural Orbital ◽  
Atomic Natural Orbital

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

1995 ◽  
Vol 90 (2-3) ◽  
pp. 87-114 ◽  
Author(s):  
Kristine Pierloot ◽  
Birgit Dumez ◽  
Per-Olof Widmark ◽  
Bj�rn O. Roos
Keyword(s):  
Density Matrix ◽  
Wave Functions ◽  
Basis Sets ◽  
Natural Orbital ◽  
Atomic Natural Orbital

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

1995 ◽  
Vol 92 (3) ◽  
pp. 149-181 ◽  
Author(s):  
Rosendo Pou-Amérigo ◽  
Manuela Merchán ◽  
Ignacio Nebot-Gil ◽  
Per-Olof Widmark ◽  
Björn O. Roos
Keyword(s):  
Density Matrix ◽  
Wave Functions ◽  
Basis Sets ◽  
Natural Orbital ◽  
Atomic Natural Orbital

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

1991 ◽  
Vol 79 (6) ◽  
pp. 419-432 ◽  
Author(s):  
Per-Olof Widmark ◽  
B. Joakim Persson ◽  
Bj�rn O. Roos
Keyword(s):  
Density Matrix ◽  
Wave Functions ◽  
Basis Sets ◽  
Natural Orbital ◽  
Atomic Natural Orbital

The harmonic frequencies of benzene. A case for atomic natural orbital basis sets

1997 ◽  
Vol 275 (3-4) ◽  
pp. 414-422 ◽  
Author(s):  
Jan M.L. Martin ◽  
Peter R. Taylor ◽  
Timothy J. Lee
Keyword(s):  
Basis Sets ◽  
Natural Orbital ◽  
Harmonic Frequencies ◽  
Orbital Basis ◽  
Atomic Natural Orbital

Atomic natural orbital basis sets for transition metals

1993 ◽  
Vol 86 (1-2) ◽  
pp. 13-24 ◽  
Author(s):  
Charles W. Bauschlicher ◽  
Peter R. Taylor
Keyword(s):  
Transition Metals ◽  
Basis Sets ◽  
Natural Orbital ◽  
Orbital Basis ◽  
Atomic Natural Orbital
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