Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory

1979 ◽  
Vol 53 (2) ◽  
pp. 121-128 ◽  
Author(s):  
David P. Santry ◽  
Thomas E. Raidy
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Time Dependent ◽  
Mixed Frequency ◽  
Hartree Fock ◽  
Scf Perturbation Theory

Applying second-order adjoint perturbation theory to time-dependent problems

2013 ◽  
Vol 53 ◽  
pp. 9-18 ◽  
Author(s):  
L. Gilli ◽  
D. Lathouwers ◽  
J.L. Kloosterman ◽  
T.H.J.J. van der Hagen
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Time Dependent ◽  
Time Dependent Problems

Microsolvation of methylmercury: structures, energies, bonding and NMR constants (199Hg,13C and17O)

2016 ◽  
Vol 18 (3) ◽  
pp. 1537-1550 ◽  
Author(s):  
Edison Flórez ◽  
Alejandro F. Maldonado ◽  
Gustavo A. Aucar ◽  
Jorge David ◽  
Albeiro Restrepo
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Order Perturbation ◽  
Order Perturbation Theory ◽  
Water Molecules ◽  
Interaction Energies ◽  
Hartree Fock ◽  
Mp2 Calculations ◽  
Equilibrium Geometries ◽  
Second Order Perturbation Theory

Hartree–Fock (HF) and second order perturbation theory (MP2) calculations within the scalar and full relativistic frames were carried out in order to determine the equilibrium geometries and interaction energies between cationic methylmercury (CH3Hg+) and up to three water molecules.

Quantum theory of bridge group assisted charge transfer between ions in solution

1969 ◽  
Vol 22 (4) ◽  
pp. 673 ◽  
Author(s):  
PP Schmidt
Keyword(s):  
Perturbation Theory ◽  
Quantum Theory ◽  
Charge Transfer ◽  
Second Order ◽  
Time Dependent ◽  
Transfer Theory ◽  
Bridge Group

By means of the second-order time-dependent perturbation theory we present a synthesis of the charge transfer theory of Levich and Dogonadze and the model of bridge assisted transfer proposed by Halpern and Orgel.

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