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The Journal of Chemical Physics
|
August 8, 2025
Tensor decomposed distinguishable cluster. I. Triples decomposition
Charlotte Rickert, Denis Usvyat, Daniel Kats
The Journal of Chemical Physics
|
April 3, 2015
Communication: Improved pair approximations in local coupled-cluster methods
Max Schwilk, Denis Usvyat, Hans-Joachim Werner
The Journal of Chemical Physics
|
March 3, 2016
A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials
Gero Wälz, Denis Usvyat, Tatiana Korona, et al.
The Journal of Chemical Physics
|
February 20, 2022
Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al<sub>2</sub>O<sub>3</sub>(0001) as a test case
Thomas Mullan, Lorenzo Maschio, Peter Saalfrank, et al.
The Journal of Chemical Physics
|
April 15, 2010
Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets
Lorenzo Maschio, Denis Usvyat, Martin Schütz, et al.
Journal of Chemical Theory and Computation
|
February 8, 2024
Hybrid RPA:DFT Approach for Adsorption on Transition Metal Surfaces: Methane and Ethane on Platinum (111)
Christopher Sheldon, Joachim Paier, Denis Usvyat, et al.
Journal of Chemical Theory and Computation
|
August 25, 2016
Fragment-Based Direct-Local-Ring-Coupled-Cluster Doubles Treatment Embedded in the Periodic Hartree-Fock Solution
Oliver Masur, Martin Schütz, Lorenzo Maschio, et al.
The Journal of Chemical Physics
|
December 5, 2012
Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids
Marco Lorenz, Lorenzo Maschio, Martin Schütz, et al.
The Journal of Physical Chemistry Letters
|
March 2, 2017
Exfoliation Energy of Black Phosphorus Revisited: A Coupled Cluster Benchmark
Martin Schütz, Lorenzo Maschio, Antti J Karttunen, et al.
The Journal of Chemical Physics
|
April 23, 2022
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field
Evelin Martine Christlmaier, Daniel Kats, Ali Alavi, et al.
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of 5
Search research articles
Search
Showing results (11-20 of 45) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
August 8, 2025
Tensor decomposed distinguishable cluster. I. Triples decomposition
Charlotte Rickert, Denis Usvyat, Daniel Kats
The Journal of Chemical Physics
|
April 3, 2015
Communication: Improved pair approximations in local coupled-cluster methods
Max Schwilk, Denis Usvyat, Hans-Joachim Werner
The Journal of Chemical Physics
|
March 3, 2016
A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials
Gero Wälz, Denis Usvyat, Tatiana Korona, et al.
The Journal of Chemical Physics
|
February 20, 2022
Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al<sub>2</sub>O<sub>3</sub>(0001) as a test case
Thomas Mullan, Lorenzo Maschio, Peter Saalfrank, et al.
The Journal of Chemical Physics
|
April 15, 2010
Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets
Lorenzo Maschio, Denis Usvyat, Martin Schütz, et al.
Journal of Chemical Theory and Computation
|
February 8, 2024
Hybrid RPA:DFT Approach for Adsorption on Transition Metal Surfaces: Methane and Ethane on Platinum (111)
Christopher Sheldon, Joachim Paier, Denis Usvyat, et al.
Journal of Chemical Theory and Computation
|
August 25, 2016
Fragment-Based Direct-Local-Ring-Coupled-Cluster Doubles Treatment Embedded in the Periodic Hartree-Fock Solution
Oliver Masur, Martin Schütz, Lorenzo Maschio, et al.
The Journal of Chemical Physics
|
December 5, 2012
Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids
Marco Lorenz, Lorenzo Maschio, Martin Schütz, et al.
The Journal of Physical Chemistry Letters
|
March 2, 2017
Exfoliation Energy of Black Phosphorus Revisited: A Coupled Cluster Benchmark
Martin Schütz, Lorenzo Maschio, Antti J Karttunen, et al.
The Journal of Chemical Physics
|
April 23, 2022
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field
Evelin Martine Christlmaier, Daniel Kats, Ali Alavi, et al.
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of 5