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

Finite-field many-body perturbation theory. X. Electric field gradients and other properties of N2

1986 ◽  
Vol 108 (1) ◽  
pp. 45-59 ◽  
Author(s):  
Ivan Cernusak ◽  
Geerd H.F. Diercksen ◽  
Andrzej J. Sadlej
Keyword(s):  
Perturbation Theory ◽  
Electric Field ◽  
Finite Field ◽  
Many Body ◽  
Electric Field Gradients ◽  
Field Gradients ◽  
Many Body Perturbation Theory ◽  
Theory X

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.

Finite-field many-body perturbation theory quadrupole polarizability of Be

1982 ◽  
Vol 89 (5) ◽  
pp. 423-429 ◽  
Author(s):  
Geerd H.F. Diercksen ◽  
Andrzej J. Sadlej
Keyword(s):  
Perturbation Theory ◽  
Finite Field ◽  
Many Body ◽  
Many Body Perturbation Theory

Finite-field many-body perturbation theory. VI. Multipole polarizabilities of beryllium. A comparative study

1983 ◽  
Vol 77 (3) ◽  
pp. 429-434 ◽  
Author(s):  
Geerd H.F. Diercksen ◽  
Andrzej J. Sadlej
Keyword(s):  
Perturbation Theory ◽  
Comparative Study ◽  
Finite Field ◽  
Many Body ◽  
Many Body Perturbation Theory

Finite-field many-body perturbation theory of the Fermi contact nuclear-spin coupling

1983 ◽  
Vol 28 (4) ◽  
pp. 1924-1929 ◽  
Author(s):  
Masahiro Iwai ◽  
A. Saika
Keyword(s):  
Perturbation Theory ◽  
Finite Field ◽  
Nuclear Spin ◽  
Spin Coupling ◽  
Many Body ◽  
Many Body Perturbation Theory ◽  
Fermi Contact

Finite-field many-body perturbation theory. VIII. Multipole polarizabilities of the CO molecule

1985 ◽  
Vol 96 (1) ◽  
pp. 43-57 ◽  
Author(s):  
Geerd H.F. Diercksen ◽  
Andrzej J. Sadlej
Keyword(s):  
Perturbation Theory ◽  
Finite Field ◽  
Many Body ◽  
Many Body Perturbation Theory
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