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Physical Chemistry Chemical Physics : PCCP
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August 23, 2007
A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians
Simen Reine, Erik Tellgren, Trygve Helgaker
The Journal of Physical Chemistry. A
|
April 16, 2015
Ring planarity problem of 2-oxazoline revisited using microwave spectroscopy and quantum chemical calculations
Svein Samdal, Harald Møllendal, Simen Reine, et al.
The Journal of Chemical Physics
|
February 8, 2016
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model
Pablo Baudin, Patrick Ettenhuber, Simen Reine, et al.
The Journal of Chemical Physics
|
September 25, 2012
Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme
Kasper Kristensen, Poul Jørgensen, Branislav Jansík, et al.
The Journal of Chemical Physics
|
September 8, 2014
Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution
Patrick Merlot, Róbert Izsák, Alex Borgoo, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2008
A ground-state-directed optimization scheme for the Kohn-Sham energy
Stinne Høst, Branislav Jansík, Jeppe Olsen, et al.
The Journal of Chemical Physics
|
June 3, 2016
Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context
Yang Min Wang, Christof Hättig, Simen Reine, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 27, 2015
Geometry of the magic number H(+)(H2O)21 water cluster by proxy
Mauritz Johan Ryding, Róbert Izsák, Patrick Merlot, et al.
The Journal of Chemical Physics
|
August 7, 2010
An efficient density-functional-theory force evaluation for large molecular systems
Simen Reine, Andreas Krapp, Maria Francesca Iozzi, et al.
Journal of Computational Chemistry
|
April 5, 2013
Attractive electron-electron interactions within robust local fitting approximations
Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
August 23, 2007
A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians
Simen Reine, Erik Tellgren, Trygve Helgaker
The Journal of Physical Chemistry. A
|
April 16, 2015
Ring planarity problem of 2-oxazoline revisited using microwave spectroscopy and quantum chemical calculations
Svein Samdal, Harald Møllendal, Simen Reine, et al.
The Journal of Chemical Physics
|
February 8, 2016
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide-expand-consolidate RI-MP2 model
Pablo Baudin, Patrick Ettenhuber, Simen Reine, et al.
The Journal of Chemical Physics
|
September 25, 2012
Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme
Kasper Kristensen, Poul Jørgensen, Branislav Jansík, et al.
The Journal of Chemical Physics
|
September 8, 2014
Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution
Patrick Merlot, Róbert Izsák, Alex Borgoo, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2008
A ground-state-directed optimization scheme for the Kohn-Sham energy
Stinne Høst, Branislav Jansík, Jeppe Olsen, et al.
The Journal of Chemical Physics
|
June 3, 2016
Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context
Yang Min Wang, Christof Hättig, Simen Reine, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 27, 2015
Geometry of the magic number H(+)(H2O)21 water cluster by proxy
Mauritz Johan Ryding, Róbert Izsák, Patrick Merlot, et al.
The Journal of Chemical Physics
|
August 7, 2010
An efficient density-functional-theory force evaluation for large molecular systems
Simen Reine, Andreas Krapp, Maria Francesca Iozzi, et al.
Journal of Computational Chemistry
|
April 5, 2013
Attractive electron-electron interactions within robust local fitting approximations
Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, et al.
Page
of 2