Finite-field many-body perturbation theory. Calculations of the dipole polarizability of the fluoride ion using electric-field-variant gaussian-type orbitals

1981 ◽  
Vol 60 (1) ◽  
pp. 19-39 ◽  
Author(s):  
Stephen Wilson ◽  
Andrzej J. Sadlej
Keyword(s):  
Perturbation Theory ◽  
Electric Field ◽  
Finite Field ◽  
Dipole Polarizability ◽  
Fluoride Ion ◽  
Many Body ◽  
Gaussian Type ◽  
Many Body Perturbation Theory

Static Dipole Polarizabilities of C, N, O and F: The Importance of Spin Projection

1990 ◽  
Vol 193 ◽  
Author(s):  
C. Sosa ◽  
K. F. Ferris
Keyword(s):  
Perturbation Theory ◽  
Finite Field ◽  
Ground State ◽  
Wave Functions ◽  
Spin Projection ◽  
Dipole Polarizability ◽  
Many Body ◽  
Hartree Fock ◽  
Many Body Perturbation Theory ◽  
Dipole Polarizabilities

ABSTRACTThe static dipole polarizability for the ground state of C(3Π ), N(4∑+), O(3Π ) and F(2∑+ ) have been calculated using ab initio molecular orbital techniques. The polarizabilities are obtained from unrestricted Hartree-Fock and Many-Body Perturbation Theory wave functions with and without spin projection, which are computed by finite-field differentiation. The effect of spin contamination is shown to be important on the calculation of static dipole polarizabilities for the ground state of C, N, O and F.

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