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Journal of Chemical Theory and Computation
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January 10, 2025
FragPT2: Multifragment Wave Function Embedding with Perturbative Interactions
Emiel Koridon, Souloke Sen, Lucas Visscher, et al.
Journal of the American Chemical Society
|
December 29, 2007
The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods
Leonardo Belpassi, Ivan Infante, Francesco Tarantelli, et al.
The Journal of Chemical Physics
|
February 17, 2007
High-accuracy calculation of nuclear quadrupole moments of atomic halogens
Hana Yakobi, Ephraim Eliav, Lucas Visscher, et al.
The Journal of Chemical Physics
|
March 15, 2013
Bond energy decomposition analysis for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Lucas Visscher
Journal of Computational Chemistry
|
May 31, 2013
The Becke fuzzy cells integration scheme in the Amsterdam density functional program suite
Mirko Franchini, Pierre Herman Theodoor Philipsen, Lucas Visscher
The Journal of Chemical Physics
|
June 15, 2022
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
Xiang Yuan, Lucas Visscher, André Severo Pereira Gomes
The Journal of Chemical Physics
|
June 30, 2007
Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit
Christoph R Jacob, S Maya Beyhan, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
Andreas W Götz, S Maya Beyhan, Lucas Visscher
The Journal of Physical Chemistry. A
|
June 13, 2012
Charge-transfer excitations in uranyl tetrachloride ([UO2Cl4]2-): how reliable are electronic spectra from relativistic time-dependent density functional theory?
Paweł Tecmer, Radovan Bast, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
October 2, 2009
The molecular mean-field approach for correlated relativistic calculations
Jetze Sikkema, Lucas Visscher, Trond Saue, et al.
Page
of 14
Search research articles
Search
Showing results (41-50 of 140) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
January 10, 2025
FragPT2: Multifragment Wave Function Embedding with Perturbative Interactions
Emiel Koridon, Souloke Sen, Lucas Visscher, et al.
Journal of the American Chemical Society
|
December 29, 2007
The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods
Leonardo Belpassi, Ivan Infante, Francesco Tarantelli, et al.
The Journal of Chemical Physics
|
February 17, 2007
High-accuracy calculation of nuclear quadrupole moments of atomic halogens
Hana Yakobi, Ephraim Eliav, Lucas Visscher, et al.
The Journal of Chemical Physics
|
March 15, 2013
Bond energy decomposition analysis for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Lucas Visscher
Journal of Computational Chemistry
|
May 31, 2013
The Becke fuzzy cells integration scheme in the Amsterdam density functional program suite
Mirko Franchini, Pierre Herman Theodoor Philipsen, Lucas Visscher
The Journal of Chemical Physics
|
June 15, 2022
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
Xiang Yuan, Lucas Visscher, André Severo Pereira Gomes
The Journal of Chemical Physics
|
June 30, 2007
Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit
Christoph R Jacob, S Maya Beyhan, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
Andreas W Götz, S Maya Beyhan, Lucas Visscher
The Journal of Physical Chemistry. A
|
June 13, 2012
Charge-transfer excitations in uranyl tetrachloride ([UO2Cl4]2-): how reliable are electronic spectra from relativistic time-dependent density functional theory?
Paweł Tecmer, Radovan Bast, Kenneth Ruud, et al.
The Journal of Chemical Physics
|
October 2, 2009
The molecular mean-field approach for correlated relativistic calculations
Jetze Sikkema, Lucas Visscher, Trond Saue, et al.
Page
of 14