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Bence Hégely

3 results in Authors: Bence Hégely

Theoretical and Computational Chemistry

Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces

Jozsef Csoka, Bence Hegely, Peter Nagy, Mihaly Kallay

Version 1 posted 23 February 2024

259

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Theoretical and Computational Chemistry

Projected atomic orbitals as optimal virtual space for excited state projection-based embedding calculations

Ádám B. Szirmai, Bence Hégely, Attila Tajti, Mihály Kállay, Péter G. Szalay

Version 2 posted 13 March 2024

1,032

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Theoretical and Computational Chemistry

An overview of developments in the MRCC program system

Dávid Mester, Peter R. Nagy, József Csóka, László Gyevi-Nagy, P. Bernát Szabó, Réka A. Horváth, Klára Petrov, Bence Hégely, Bence Ladóczki, Gyula Samu, Balázs D. Lőrincz, Mihály Kállay

Version 1 posted 30 January 2025

163

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