Ich stimme zu, dass diese Seite Cookies verwende. Weitere Informationen finden Sie unter unseren Datenschutzerklärungen .
X
Mitas, Lubos
133  Ergebnisse:
Personensuche X
?
1

A new generation of effective core potentials: Selected lan..:

Zhou, Haihan ; Kincaid, Benjamin ; Wang, Guangming...
The Journal of Chemical Physics.  160 (2024)  8 - p. , 2024
Link: https://doi.org/10.1063/..
 
?
2

The role of electron correlations in the electronic structu..:

Annaberdiyev, Abdulgani ; Mandal, Subhasish ; Mitas, Lubos..
npj Quantum Materials.  8 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
?
3

High Accuracy Transition Metal Effective Cores for the Many..:

Bennett, M. Chandler ; Reboredo, Fernando A. ; Mitas, Lubos.
Journal of Chemical Theory and Computation.  18 (2022)  2 - p. 828-839 , 2022
Link: https://doi.org/10.1021/..
 
?
4

A quantum Monte Carlo study of systems with effective core ..:

Zhou, Haihan ; Scemama, Anthony ; Wang, Guangming...
Chemical Physics.  554 (2022)  - p. 111402 , 2022
Link: https://doi.org/10.1016/..
 
?
5

Weighted nodal domain averages of eigenstates for quantum M..:

Mitas, Lubos ; Annaberdiyev, Abdulgani
Chemical Physics.  557 (2022)  - p. 111483 , 2022
Link: https://doi.org/10.1016/..
 
?
6

Correlation consistent effective core potentials for late 3..:

Kincaid, Benjamin ; Wang, Guangming ; Zhou, Haihan.
The Journal of Chemical Physics.  157 (2022)  17 - p. , 2022
Link: https://doi.org/10.1063/..
 
?
7

A new generation of effective core potentials from correlat..:

Wang, Guangming ; Kincaid, Benjamin ; Zhou, Haihan...
The Journal of Chemical Physics.  157 (2022)  5 - p. , 2022
Link: https://doi.org/10.1063/..
 
?
8

Fundamental gap of fluorographene by many-body GW and fixed..:

Dubecký, Matúš ; Karlický, František ; Minárik, Stanislav.
The Journal of Chemical Physics.  153 (2020)  18 - p. , 2020
Link: https://doi.org/10.1063/..
 
?
9

Accurate Atomic Correlation and Total Energies for Correlat..:

Annaberdiyev, Abdulgani ; Melton, Cody A. ; Bennett, M. Chandler..
Journal of Chemical Theory and Computation.  16 (2020)  3 - p. 1482-1502 , 2020
Link: https://doi.org/10.1021/..
 
?
10

Binding and excitations in SixHy molecular systems using qu..:

Wang, Guangming ; Annaberdiyev, Abdulgani ; Mitas, Lubos
The Journal of Chemical Physics.  153 (2020)  14 - p. , 2020
Link: https://doi.org/10.1063/..
 
?
11

QMCPACK: Advances in the development, efficiency, and appli..:

Kent, P. R. C. ; Annaberdiyev, Abdulgani ; Benali, Anouar...
The Journal of Chemical Physics.  152 (2020)  17 - p. , 2020
Link: https://doi.org/10.1063/..
 
?
12

Toward Accurate Hydrogen Bonds by Scalable Quantum Monte Ca..:

Dubecký, Matúš ; Jurečka, Petr ; Mitas, Lubos..
Journal of Chemical Theory and Computation.  15 (2019)  6 - p. 3552-3557 , 2019
Link: https://doi.org/10.1021/..
 
?
13

A new generation of effective core potentials from correlat..:

Wang, Guangming ; Annaberdiyev, Abdulgani ; Melton, Cody A....
The Journal of Chemical Physics.  151 (2019)  14 - p. , 2019
Link: https://doi.org/10.1063/..
 
?
14

Projector quantum Monte Carlo with averaged vs explicit spi..:

Melton, Cody A. ; Bennett, M. Chandler ; Mitas, Lubos
Journal of Physics and Chemistry of Solids.  128 (2019)  - p. 367-373 , 2019
Link: https://doi.org/10.1016/..
 
?
15

A quantum Monte Carlo study of the molybdenum dimer (Mo2):

Kulahlioglu, Adem Halil ; Mitas, Lubos
Computational and Theoretical Chemistry.  1170 (2019)  - p. 112642 , 2019
Link: https://doi.org/10.1016/..
 
1-15