Bence Hégely - Publications, H-index & Citations

Bence Hégely

Budapest University of Technology and Economics

10H指数

19论文数

889被引数

收录论文 8

发表时间

Extending the Projection-Based Embedding Technique to Open-Shell Systems Using the Huzinaga Equation 基于投影的嵌入技术向开放壳层系统的扩展：使用Huzinaga方程

Journal of Chemical Theory and Computation

IF5.5

2025-07-17

OAAI

Bence Hégely; Mihály Kállay

Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-04-16

PREAI

Szirmai, Adam B.; Hegely, Bence; Tajti, Attila; Kallay, Mihaly; Szalay, Peter G.

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-03-26

OAAI

Csoka, Jozsef; Hegely, Bence; Nagy, Peter R.; Kallay, Mihaly

The MRCC program system: Accurate quantum chemistry from water to proteins

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-02-20

362

OAAI

Kallay, Mihaly; Nagy, Peter R.; Mester, David; Rolik, Zoltan; Samu, Gyula; Csontos, Jozsef; Csoka, Jozsef; Szabo, P. Bernat; Gyevi-Nagy, Laszlo; Hegely, Bence; Ladjanszki, Istvan; Szegedy, Lorant; Ladoczki, Bence; Petrov, Klara; Farkas, Mate; Mezei, Pal D.; Ganyecz, Adam

Dual Basis Set Approach for Density Functional and Wave Function Embedding Schemes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-07-26

PREAI

Hegely, Bence; Nagy, Peter R.; Kallay, Mihaly

Melt stabilization of PE with natural antioxidants: Comparison of rutin and quercetin

EUROPEAN POLYMER JOURNAL

IF6.3

2018-06-01

OAAI

Kirschweng, Balazs; Tilinger, Daniel Mirko; Hegely, Bence; Samu, Gyula; Tatraaljai, Dora; Foldes, Eniko; Pukanszky, Bela