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The Journal of Chemical Physics
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February 8, 2023
Characterization of excited states in time-dependent density functional theory using localized molecular orbitals
Souloke Sen, Bruno Senjean, Lucas Visscher
Journal of Chemical Information and Modeling
|
November 29, 2024
Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry Perspective
Seenivasan Hariharan, Sachin Kinge, Lucas Visscher
Scientific Data
|
March 11, 2026
qsGW quasiparticle and GW-BSE excitation energies of 133,885 molecules
Dario Baum, Arno Förster, Lucas Visscher
The Journal of Chemical Physics
|
March 3, 2026
Calculation and analysis of exciton couplings via a subsystem formulation of the GW-Bethe-Salpeter equation
Sarathchandra Khandavilli, Arno Förster, Lucas Visscher
Chemical Science
|
March 4, 2026
Transfer learning of GW Bethe-Salpeter equation excitation energies
Dario Baum, Arno Förster, Lucas Visscher
The Journal of Chemical Physics
|
December 29, 2010
General implementation of the relativistic coupled-cluster method
Huliyar S Nataraj, Mihály Kállay, Lucas Visscher
Journal of Chemical Theory and Computation
|
January 23, 2018
Four-Component Polarization Propagator Calculations of Electron Excitations: Spectroscopic Implications of Spin-Orbit Coupling Effects
Markus Pernpointner, Lucas Visscher, Alexander B Trofimov
Journal of Computational Chemistry
|
November 8, 2007
A flexible implementation of frozen-density embedding for use in multilevel simulations
Christoph R Jacob, Johannes Neugebauer, Lucas Visscher
The Journal of Chemical Physics
|
July 11, 2016
Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians
Benjamin Helmich-Paris, Michal Repisky, Lucas Visscher
The Journal of Chemical Physics
|
March 18, 2014
Calculation of nuclear spin-spin coupling constants using frozen density embedding
Andreas W Götz, Jochen Autschbach, Lucas Visscher
Page
of 14
Search research articles
Search
Showing results (21-30 of 140) with videos related to
Sort By:
Page
of 14
The Journal of Chemical Physics
|
February 8, 2023
Characterization of excited states in time-dependent density functional theory using localized molecular orbitals
Souloke Sen, Bruno Senjean, Lucas Visscher
Journal of Chemical Information and Modeling
|
November 29, 2024
Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry Perspective
Seenivasan Hariharan, Sachin Kinge, Lucas Visscher
Scientific Data
|
March 11, 2026
qsGW quasiparticle and GW-BSE excitation energies of 133,885 molecules
Dario Baum, Arno Förster, Lucas Visscher
The Journal of Chemical Physics
|
March 3, 2026
Calculation and analysis of exciton couplings via a subsystem formulation of the GW-Bethe-Salpeter equation
Sarathchandra Khandavilli, Arno Förster, Lucas Visscher
Chemical Science
|
March 4, 2026
Transfer learning of GW Bethe-Salpeter equation excitation energies
Dario Baum, Arno Förster, Lucas Visscher
The Journal of Chemical Physics
|
December 29, 2010
General implementation of the relativistic coupled-cluster method
Huliyar S Nataraj, Mihály Kállay, Lucas Visscher
Journal of Chemical Theory and Computation
|
January 23, 2018
Four-Component Polarization Propagator Calculations of Electron Excitations: Spectroscopic Implications of Spin-Orbit Coupling Effects
Markus Pernpointner, Lucas Visscher, Alexander B Trofimov
Journal of Computational Chemistry
|
November 8, 2007
A flexible implementation of frozen-density embedding for use in multilevel simulations
Christoph R Jacob, Johannes Neugebauer, Lucas Visscher
The Journal of Chemical Physics
|
July 11, 2016
Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians
Benjamin Helmich-Paris, Michal Repisky, Lucas Visscher
The Journal of Chemical Physics
|
March 18, 2014
Calculation of nuclear spin-spin coupling constants using frozen density embedding
Andreas W Götz, Jochen Autschbach, Lucas Visscher
Page
of 14