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The Journal of Chemical Physics
|
August 10, 2015
Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory
K J H Giesbertz
The Journal of Chemical Physics
|
May 27, 2010
Aufbau derived from a unified treatment of occupation numbers in Hartree-Fock, Kohn-Sham, and natural orbital theories with the Karush-Kuhn-Tucker conditions for the inequality constraints n(i)<or=1 and n(i)>or=0
K J H Giesbertz, E J Baerends
The Journal of Chemical Physics
|
September 21, 2013
Natural occupation numbers: when do they vanish?
K J H Giesbertz, R van Leeuwen
Physical Review Letters
|
September 4, 2008
Charge transfer, double and bond-breaking excitations with time-dependent density matrix functional theory
K J H Giesbertz, E J Baerends, O V Gritsenko
The Journal of Chemical Physics
|
March 10, 2012
Response calculations based on an independent particle system with the exact one-particle density matrix: excitation energies
K J H Giesbertz, O V Gritsenko, E J Baerends
The Journal of Chemical Physics
|
May 17, 2014
Response calculations based on an independent particle system with the exact one-particle density matrix: polarizabilities
K J H Giesbertz, O V Gritsenko, E J Baerends
Physical Review Letters
|
September 28, 2010
Response calculations with an independent particle system with an exact one-particle density matrix
K J H Giesbertz, O V Gritsenko, E J Baerends
The Journal of Chemical Physics
|
November 9, 2010
The adiabatic approximation in time-dependent density matrix functional theory: response properties from dynamics of phase-including natural orbitals
K J H Giesbertz, O V Gritsenko, E J Baerends
The Journal of Chemical Physics
|
November 22, 2022
Relativistic effects on electronic pair densities: A perspective from the radial intracule and extracule probability densities
M Rodríguez-Mayorga, D Keizer, K J H Giesbertz, et al.
The Journal of Chemical Physics
|
March 26, 2009
Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems
K J H Giesbertz, K Pernal, O V Gritsenko, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
August 10, 2015
Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory
K J H Giesbertz
The Journal of Chemical Physics
|
May 27, 2010
Aufbau derived from a unified treatment of occupation numbers in Hartree-Fock, Kohn-Sham, and natural orbital theories with the Karush-Kuhn-Tucker conditions for the inequality constraints n(i)<or=1 and n(i)>or=0
K J H Giesbertz, E J Baerends
The Journal of Chemical Physics
|
September 21, 2013
Natural occupation numbers: when do they vanish?
K J H Giesbertz, R van Leeuwen
Physical Review Letters
|
September 4, 2008
Charge transfer, double and bond-breaking excitations with time-dependent density matrix functional theory
K J H Giesbertz, E J Baerends, O V Gritsenko
The Journal of Chemical Physics
|
March 10, 2012
Response calculations based on an independent particle system with the exact one-particle density matrix: excitation energies
K J H Giesbertz, O V Gritsenko, E J Baerends
The Journal of Chemical Physics
|
May 17, 2014
Response calculations based on an independent particle system with the exact one-particle density matrix: polarizabilities
K J H Giesbertz, O V Gritsenko, E J Baerends
Physical Review Letters
|
September 28, 2010
Response calculations with an independent particle system with an exact one-particle density matrix
K J H Giesbertz, O V Gritsenko, E J Baerends
The Journal of Chemical Physics
|
November 9, 2010
The adiabatic approximation in time-dependent density matrix functional theory: response properties from dynamics of phase-including natural orbitals
K J H Giesbertz, O V Gritsenko, E J Baerends
The Journal of Chemical Physics
|
November 22, 2022
Relativistic effects on electronic pair densities: A perspective from the radial intracule and extracule probability densities
M Rodríguez-Mayorga, D Keizer, K J H Giesbertz, et al.
The Journal of Chemical Physics
|
March 26, 2009
Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems
K J H Giesbertz, K Pernal, O V Gritsenko, et al.
Page
of 2