日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

The CP2K Program Package Made Simple

CP2K 程序包简明教程

Iannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Gökmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V; Brehm, Martin; Schade, Robert; Schütt, Ole; Pototschnig, Johann V; Mirhosseini, Hossein; Knüpfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jürg; Kühne, Thomas D

Correction to "Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods"

对“扩展体系的激发态性质:高效的混合密度泛函方法”的更正

Hehn, Anna-Sophia; Sertcan, Beliz; Belleflamme, Fabian; Chulkov, Sergey K; Watkins, Matthew B; Hutter, Jürg

Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm-Dancoff Approximation of Time-Dependent Density Functional Theory

利用高斯和增广平面波方法计算时变密度泛函理论的Tamm-Dancoff近似下的激发态力

Sertcan Gökmen, Beliz; Hutter, Jürg; Hehn, Anna-Sophia

Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods

扩展体系的激发态性质:高效的混合密度泛函方法

Hehn, Anna-Sophia; Sertcan, Beliz; Belleflamme, Fabian; Chulkov, Sergey K; Watkins, Matthew B; Hutter, Jürg