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The Journal of Chemical Physics
|
January 14, 2023
Analytic gradients for local density fitting Hartree-Fock and Kohn-Sham methods
József Csóka, Mihály Kállay
The Journal of Chemical Physics
|
May 4, 2021
Speeding up Hartree-Fock and Kohn-Sham calculations with first-order corrections
József Csóka, Mihály Kállay
The Journal of Physical Chemistry. A
|
July 29, 2024
Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions
Klára Petrov, József Csóka, Mihály Kállay
Journal of Chemical Theory and Computation
|
September 29, 2025
Hybrid DFT Quality Thermochemistry and Environment Effects at GGA Cost via Local Quantum Embedding
József Csóka, Dénes Berta, Péter R Nagy
The Journal of Chemical Physics
|
March 26, 2024
Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces
József Csóka, Bence Hégely, Péter R Nagy, et al.
Journal of Chemical Theory and Computation
|
March 24, 2026
Systematically Improvable and Locality Accelerated Enzymatic Reactivity Modeling: Toward Chemical Accuracy at Affordable Cost
Dénes Berta, József Csóka, Gyula Samu, et al.
Journal of Chemical Theory and Computation
|
April 5, 2021
Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications
P Bernát Szabó, József Csóka, Mihály Kállay, et al.
Journal of Chemical Theory and Computation
|
November 3, 2023
Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications
P Bernát Szabó, József Csóka, Mihály Kállay, et al.
The Journal of Physical Chemistry. A
|
February 17, 2025
Overview of Developments in the MRCC Program System
Dávid Mester, Péter R Nagy, József Csóka, et al.
The Journal of Chemical Physics
|
February 24, 2020
The MRCC program system: Accurate quantum chemistry from water to proteins
Mihály Kállay, Péter R Nagy, Dávid Mester, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
January 14, 2023
Analytic gradients for local density fitting Hartree-Fock and Kohn-Sham methods
József Csóka, Mihály Kállay
The Journal of Chemical Physics
|
May 4, 2021
Speeding up Hartree-Fock and Kohn-Sham calculations with first-order corrections
József Csóka, Mihály Kállay
The Journal of Physical Chemistry. A
|
July 29, 2024
Analytic Gradients for Density Fitting MP2 Using Natural Auxiliary Functions
Klára Petrov, József Csóka, Mihály Kállay
Journal of Chemical Theory and Computation
|
September 29, 2025
Hybrid DFT Quality Thermochemistry and Environment Effects at GGA Cost via Local Quantum Embedding
József Csóka, Dénes Berta, Péter R Nagy
The Journal of Chemical Physics
|
March 26, 2024
Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces
József Csóka, Bence Hégely, Péter R Nagy, et al.
Journal of Chemical Theory and Computation
|
March 24, 2026
Systematically Improvable and Locality Accelerated Enzymatic Reactivity Modeling: Toward Chemical Accuracy at Affordable Cost
Dénes Berta, József Csóka, Gyula Samu, et al.
Journal of Chemical Theory and Computation
|
April 5, 2021
Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications
P Bernát Szabó, József Csóka, Mihály Kállay, et al.
Journal of Chemical Theory and Computation
|
November 3, 2023
Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications
P Bernát Szabó, József Csóka, Mihály Kállay, et al.
The Journal of Physical Chemistry. A
|
February 17, 2025
Overview of Developments in the MRCC Program System
Dávid Mester, Péter R Nagy, József Csóka, et al.
The Journal of Chemical Physics
|
February 24, 2020
The MRCC program system: Accurate quantum chemistry from water to proteins
Mihály Kállay, Péter R Nagy, Dávid Mester, et al.
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