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The Journal of Chemical Physics
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March 3, 2005
A gauge-independent zeroth-order regular approximation to the exact relativistic Hamiltonian--formulation and applications
Michael Filatov, Dieter Cremer
Journal of Chemical Theory and Computation
|
December 2, 2015
DFT Approach to the Calculation of Mössbauer Isomer Shifts
Reshmi Kurian, Michael Filatov
The Journal of Chemical Physics
|
July 17, 2014
Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems
Michael Filatov, Miquel Huix-Rotllant
The Journal of Chemical Physics
|
July 5, 2011
Development and application of the analytical energy gradient for the normalized elimination of the small component method
Wenli Zou, Michael Filatov, Dieter Cremer
Journal of Chemical Theory and Computation
|
November 24, 2015
Development, Implementation, and Application of an Analytic Second Derivative Formalism for the Normalized Elimination of the Small Component Method
Wenli Zou, Michael Filatov, Dieter Cremer
Journal of Chemical Theory and Computation
|
November 24, 2015
Analytic Calculation of Contact Densities and Mössbauer Isomer Shifts Using the Normalized Elimination of the Small-Component Formalism
Michael Filatov, Wenli Zou, Dieter Cremer
The Journal of Chemical Physics
|
October 9, 2012
Communication: On the isotope anomaly of nuclear quadrupole coupling in molecules
Michael Filatov, Wenli Zou, Dieter Cremer
The Journal of Physical Chemistry. A
|
March 20, 2012
Analytic calculation of isotropic hyperfine structure constants using the normalized elimination of the small component formalism
Michael Filatov, Wenli Zou, Dieter Cremer
The Journal of Chemical Physics
|
September 4, 2012
Analytic calculation of second-order electric response properties with the normalized elimination of the small component (NESC) method
Wenli Zou, Michael Filatov, Dieter Cremer
The Journal of Chemical Physics
|
June 8, 2015
Analytical energy gradient for the two-component normalized elimination of the small component method
Wenli Zou, Michael Filatov, Dieter Cremer
Page
of 11
Search research articles
Search
Showing results (21-30 of 104) with videos related to
Sort By:
Page
of 11
The Journal of Chemical Physics
|
March 3, 2005
A gauge-independent zeroth-order regular approximation to the exact relativistic Hamiltonian--formulation and applications
Michael Filatov, Dieter Cremer
Journal of Chemical Theory and Computation
|
December 2, 2015
DFT Approach to the Calculation of Mössbauer Isomer Shifts
Reshmi Kurian, Michael Filatov
The Journal of Chemical Physics
|
July 17, 2014
Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems
Michael Filatov, Miquel Huix-Rotllant
The Journal of Chemical Physics
|
July 5, 2011
Development and application of the analytical energy gradient for the normalized elimination of the small component method
Wenli Zou, Michael Filatov, Dieter Cremer
Journal of Chemical Theory and Computation
|
November 24, 2015
Development, Implementation, and Application of an Analytic Second Derivative Formalism for the Normalized Elimination of the Small Component Method
Wenli Zou, Michael Filatov, Dieter Cremer
Journal of Chemical Theory and Computation
|
November 24, 2015
Analytic Calculation of Contact Densities and Mössbauer Isomer Shifts Using the Normalized Elimination of the Small-Component Formalism
Michael Filatov, Wenli Zou, Dieter Cremer
The Journal of Chemical Physics
|
October 9, 2012
Communication: On the isotope anomaly of nuclear quadrupole coupling in molecules
Michael Filatov, Wenli Zou, Dieter Cremer
The Journal of Physical Chemistry. A
|
March 20, 2012
Analytic calculation of isotropic hyperfine structure constants using the normalized elimination of the small component formalism
Michael Filatov, Wenli Zou, Dieter Cremer
The Journal of Chemical Physics
|
September 4, 2012
Analytic calculation of second-order electric response properties with the normalized elimination of the small component (NESC) method
Wenli Zou, Michael Filatov, Dieter Cremer
The Journal of Chemical Physics
|
June 8, 2015
Analytical energy gradient for the two-component normalized elimination of the small component method
Wenli Zou, Michael Filatov, Dieter Cremer
Page
of 11