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The Journal of Chemical Physics
|
November 19, 2005
Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals
Daniel S Lambrecht, Christian Ochsenfeld
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2020
Buckybowls as gas adsorbents: binding of gaseous pollutants and their electric-field induced release
Daniel J Burrill, Daniel S Lambrecht
The Journal of Physical Chemistry. A
|
March 6, 2008
Instability of the Al4(2-) "all-metal aromatic" ion and its implications
Daniel S Lambrecht, Timo Fleig, Thomas Sommerfeld
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory
Bernd Doser, Daniel S Lambrecht, Christian Ochsenfeld
The Journal of Chemical Physics
|
November 19, 2005
Rigorous integral screening for electron correlation methods
Daniel S Lambrecht, Bernd Doser, Christian Ochsenfeld
Faraday Discussions
|
March 31, 2012
Charge-transfer and the hydrogen bond: spectroscopic and structural implications from electronic structure calculations
Eloy Ramos-Cordoba, Daniel S Lambrecht, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
August 19, 2015
Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First-Principles Electronic Structure Investigation of Weak Electrostatic Interactions
Keith A Werling, Geoffrey R Hutchison, Daniel S Lambrecht
The Journal of Chemical Physics
|
February 19, 2009
Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria
Bernd Doser, Daniel S Lambrecht, Jörg Kussmann, et al.
The Journal of Chemical Physics
|
December 11, 2013
Linear-scaling symmetry-adapted perturbation theory with scaled dispersion
Simon A Maurer, Matthias Beer, Daniel S Lambrecht, et al.
The Journal of Chemical Physics
|
January 10, 2013
Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theory
Simon A Maurer, Daniel S Lambrecht, Jörg Kussmann, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
November 19, 2005
Multipole-based integral estimates for the rigorous description of distance dependence in two-electron integrals
Daniel S Lambrecht, Christian Ochsenfeld
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2020
Buckybowls as gas adsorbents: binding of gaseous pollutants and their electric-field induced release
Daniel J Burrill, Daniel S Lambrecht
The Journal of Physical Chemistry. A
|
March 6, 2008
Instability of the Al4(2-) "all-metal aromatic" ion and its implications
Daniel S Lambrecht, Timo Fleig, Thomas Sommerfeld
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory
Bernd Doser, Daniel S Lambrecht, Christian Ochsenfeld
The Journal of Chemical Physics
|
November 19, 2005
Rigorous integral screening for electron correlation methods
Daniel S Lambrecht, Bernd Doser, Christian Ochsenfeld
Faraday Discussions
|
March 31, 2012
Charge-transfer and the hydrogen bond: spectroscopic and structural implications from electronic structure calculations
Eloy Ramos-Cordoba, Daniel S Lambrecht, Martin Head-Gordon
The Journal of Physical Chemistry Letters
|
August 19, 2015
Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First-Principles Electronic Structure Investigation of Weak Electrostatic Interactions
Keith A Werling, Geoffrey R Hutchison, Daniel S Lambrecht
The Journal of Chemical Physics
|
February 19, 2009
Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria
Bernd Doser, Daniel S Lambrecht, Jörg Kussmann, et al.
The Journal of Chemical Physics
|
December 11, 2013
Linear-scaling symmetry-adapted perturbation theory with scaled dispersion
Simon A Maurer, Matthias Beer, Daniel S Lambrecht, et al.
The Journal of Chemical Physics
|
January 10, 2013
Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theory
Simon A Maurer, Daniel S Lambrecht, Jörg Kussmann, et al.
Page
of 3