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The Journal of Chemical Physics
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October 15, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
Alexandrina Stoyanova, Andrew M Teale, Julien Toulouse, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Spin-orbit effects in electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution
Emmanuel Fromager, Valerie Vallet, Bernd Schimmelpfennig, et al.
The Journal of Chemical Physics
|
August 14, 2009
On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species
Emmanuel Fromager, Florent Réal, Pernilla Wåhlin, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution
Peter Macak, Emmanuel Fromager, Timofei Privalov, et al.
Journal of the American Chemical Society
|
August 5, 2004
Electron transfer in uranyl(VI)-uranyl(V) complexes in solution
Timofei Privalov, Peter Macak, Bernd Schimmelpfennig, et al.
The Journal of Chemical Physics
|
November 6, 2004
An analysis of core effects on shape-consistent pseudopotentials
Emmanuel Fromager, Laurent Maron, Christian Teichteil, et al.
The Journal of Chemical Physics
|
December 11, 2013
Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self-consistent field wave functions
Erik Donovan Hedegård, Frank Heiden, Stefan Knecht, et al.
Faraday Discussions
|
November 26, 2020
Strong correlation in density functional theory: general discussion
Emmanuel Fromager, Nikitas Gidopoulos, Paola Gori-Giorgi, et al.
Faraday Discussions
|
November 24, 2020
New density-functional approximations and beyond: general discussion
Jan Gerit Brandenburg, Kieron Burke, Antonio Cancio, et al.
Faraday Discussions
|
November 27, 2020
New approaches to study excited states in density functional theory: general discussion
Jan Gerit Brandenburg, Kieron Burke, Emmanuel Fromager, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 31) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
October 15, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
Alexandrina Stoyanova, Andrew M Teale, Julien Toulouse, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Spin-orbit effects in electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution
Emmanuel Fromager, Valerie Vallet, Bernd Schimmelpfennig, et al.
The Journal of Chemical Physics
|
August 14, 2009
On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species
Emmanuel Fromager, Florent Réal, Pernilla Wåhlin, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Electron transfer in neptunyl(VI)-neptunyl(V) complexes in solution
Peter Macak, Emmanuel Fromager, Timofei Privalov, et al.
Journal of the American Chemical Society
|
August 5, 2004
Electron transfer in uranyl(VI)-uranyl(V) complexes in solution
Timofei Privalov, Peter Macak, Bernd Schimmelpfennig, et al.
The Journal of Chemical Physics
|
November 6, 2004
An analysis of core effects on shape-consistent pseudopotentials
Emmanuel Fromager, Laurent Maron, Christian Teichteil, et al.
The Journal of Chemical Physics
|
December 11, 2013
Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self-consistent field wave functions
Erik Donovan Hedegård, Frank Heiden, Stefan Knecht, et al.
Faraday Discussions
|
November 26, 2020
Strong correlation in density functional theory: general discussion
Emmanuel Fromager, Nikitas Gidopoulos, Paola Gori-Giorgi, et al.
Faraday Discussions
|
November 24, 2020
New density-functional approximations and beyond: general discussion
Jan Gerit Brandenburg, Kieron Burke, Antonio Cancio, et al.
Faraday Discussions
|
November 27, 2020
New approaches to study excited states in density functional theory: general discussion
Jan Gerit Brandenburg, Kieron Burke, Emmanuel Fromager, et al.
Page
of 4