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Bence Hégely

Showing results (1-10 of 8) with videos related to

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Journal of Chemical Theory and Computation|July 17, 2025
Extending the Projection-Based Embedding Technique to Open-Shell Systems Using the Huzinaga EquationBence Hégely, Mihály Kállay
Journal of Chemical Theory and Computation|July 27, 2018
Dual Basis Set Approach for Density Functional and Wave Function Embedding SchemesBence Hégely, Péter R Nagy, Mihály Kállay
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 forcesJózsef Csóka, Bence Hégely, Péter R Nagy, et al.
The Journal of Physical Chemistry. A|June 20, 2014
Solvation and protonation of coumarin 102 in aqueous media: a fluorescence spectroscopic and theoretical studyDóra Hessz, Bence Hégely, Mihály Kállay, et al.
Journal of Chemical Theory and Computation|April 16, 2024
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding CalculationsÁdám B Szirmai, Bence Hégely, Attila Tajti, et al.
The Journal of Physical Chemistry. A|September 12, 2022
Performance of Multilevel Methods for Excited StatesBence Hégely, Ádám B Szirmai, Dávid Mester, et al.
The Journal of Physical Chemistry. A|February 17, 2025
Overview of Developments in the MRCC Program SystemDávid 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 proteinsMihály Kállay, Péter R Nagy, Dávid Mester, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|July 17, 2025
Extending the Projection-Based Embedding Technique to Open-Shell Systems Using the Huzinaga EquationBence Hégely, Mihály Kállay
Journal of Chemical Theory and Computation|July 27, 2018
Dual Basis Set Approach for Density Functional and Wave Function Embedding SchemesBence Hégely, Péter R Nagy, Mihály Kállay
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 forcesJózsef Csóka, Bence Hégely, Péter R Nagy, et al.
The Journal of Physical Chemistry. A|June 20, 2014
Solvation and protonation of coumarin 102 in aqueous media: a fluorescence spectroscopic and theoretical studyDóra Hessz, Bence Hégely, Mihály Kállay, et al.
Journal of Chemical Theory and Computation|April 16, 2024
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding CalculationsÁdám B Szirmai, Bence Hégely, Attila Tajti, et al.
The Journal of Physical Chemistry. A|September 12, 2022
Performance of Multilevel Methods for Excited StatesBence Hégely, Ádám B Szirmai, Dávid Mester, et al.
The Journal of Physical Chemistry. A|February 17, 2025
Overview of Developments in the MRCC Program SystemDávid 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 proteinsMihály Kállay, Péter R Nagy, Dávid Mester, et al.
Pageof 1