Perspective on "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory"

2000 ◽  
Vol 103 (3-4) ◽  
pp. 294-296
Author(s):  
H. Bernhard Schlegel
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Polyatomic Molecules ◽  
Force Constants ◽  
Equilibrium Geometries

Gaussian basis sets for ab initio calculation of NLO properties of polyatomic molecules

2010 ◽  
Vol 10 (3-6) ◽  
pp. 239-256
Author(s):  
Diego Paschoal ◽  
Marcello F. Costa ◽  
Georgia M.A. Junqueira ◽  
Hélio F. Dos Santos
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Polyatomic Molecules ◽  
Basis Sets ◽  
Gaussian Basis Sets ◽  
Nlo Properties

Ab Initio Calculation of Harmonic Force Constants

1966 ◽  
Vol 44 (6) ◽  
pp. 2480-2487 ◽  
Author(s):  
David M. Bishop ◽  
Milan Randic̆
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Force Constants ◽  
Harmonic Force
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