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The Journal of Chemical Physics
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June 10, 2019
Explicitly correlated renormalized second-order Green's function for accurate ionization potentials of closed-shell molecules
Nakul K Teke, Fabijan Pavošević, Chong Peng, et al.
The Journal of Chemical Physics
|
April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals
Fabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.
The Journal of Chemical Physics
|
June 10, 2010
Scalar relativistic explicitly correlated R12 methods
Florian A Bischoff, Edward F Valeev, Wim Klopper, et al.
Journal of Chemical Theory and Computation
|
September 10, 2025
Slimmer Geminals For Accurate F12 Electronic Structure Models
Samuel R Powell, Kshitijkumar A Surjuse, Bimal Gaudel, et al.
The Journal of Chemical Physics
|
January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Christoph Riplinger, Peter Pinski, Ute Becker, et al.
The Journal of Chemical Physics
|
May 1, 2017
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
Masaaki Saitow, Ute Becker, Christoph Riplinger, et al.
The Journal of Physical Chemistry. A
|
December 15, 2016
Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework
Chong Peng, Justus A Calvin, Fabijan Pavošević, et al.
The Journal of Organic Chemistry
|
September 17, 2015
(1,2-Diaminoethane-1,2-diyl)bis(N-methylpyridinium) Salts as a Prospective Platform for Designing Recyclable Prolinamide-Based Organocatalysts
Vladislav G Lisnyak, Alexander S Kucherenko, Edward F Valeev, et al.
Journal of Computational Chemistry
|
August 28, 2007
Components for integral evaluation in quantum chemistry
Joseph P Kenny, Curtis L Janssen, Edward F Valeev, et al.
Chemical Reviews
|
December 11, 2020
Many-Body Quantum Chemistry on Massively Parallel Computers
Justus A Calvin, Chong Peng, Varun Rishi, et al.
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of 9
Search research articles
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Showing results (51-60 of 87) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
June 10, 2019
Explicitly correlated renormalized second-order Green's function for accurate ionization potentials of closed-shell molecules
Nakul K Teke, Fabijan Pavošević, Chong Peng, et al.
The Journal of Chemical Physics
|
April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals
Fabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.
The Journal of Chemical Physics
|
June 10, 2010
Scalar relativistic explicitly correlated R12 methods
Florian A Bischoff, Edward F Valeev, Wim Klopper, et al.
Journal of Chemical Theory and Computation
|
September 10, 2025
Slimmer Geminals For Accurate F12 Electronic Structure Models
Samuel R Powell, Kshitijkumar A Surjuse, Bimal Gaudel, et al.
The Journal of Chemical Physics
|
January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Christoph Riplinger, Peter Pinski, Ute Becker, et al.
The Journal of Chemical Physics
|
May 1, 2017
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
Masaaki Saitow, Ute Becker, Christoph Riplinger, et al.
The Journal of Physical Chemistry. A
|
December 15, 2016
Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework
Chong Peng, Justus A Calvin, Fabijan Pavošević, et al.
The Journal of Organic Chemistry
|
September 17, 2015
(1,2-Diaminoethane-1,2-diyl)bis(N-methylpyridinium) Salts as a Prospective Platform for Designing Recyclable Prolinamide-Based Organocatalysts
Vladislav G Lisnyak, Alexander S Kucherenko, Edward F Valeev, et al.
Journal of Computational Chemistry
|
August 28, 2007
Components for integral evaluation in quantum chemistry
Joseph P Kenny, Curtis L Janssen, Edward F Valeev, et al.
Chemical Reviews
|
December 11, 2020
Many-Body Quantum Chemistry on Massively Parallel Computers
Justus A Calvin, Chong Peng, Varun Rishi, et al.
Page
of 9