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

Excited-State Densities from Time-Dependent Density Functional Response Theory

基于时变密度泛函响应理论的激发态密度

Baranova, Anna; Maitra, Neepa T

Perspective on Many-Body Methods for Molecular Polaritonic Systems

分子极化子体系多体方法的展望

Bauman, Nicholas; Cunha, Leonardo A; DePrince, A Eugene 3rd; Flick, Johannes; Foley, Jonathan J 4th; Govind, Niranjan; Groenhof, Gerrit; Hoffmann, Norah; Kowalski, Karol; Li, Xiaosong; Liebenthal, Marcus; Maitra, Neepa T; Manderna, Ruby; Matoušek, Mikuláš; Mazin, Ilia M; Mejia-Rodriguez, Daniel; Panyala, Ajay; Peng, Bo; Peyton, Benjamin; Veis, Libor; Vu, Nam; Weidman, Jared D; Wilson, Angela K; Zarotiadis, Rhiannon A; Zhang, Yu

Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene with Dressed TDDFT

利用改进的TDDFT方法捕捉丁二烯低能态中难以捉摸的曲线交叉现象

Dar, Davood B; Maitra, Neepa T

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics

非绝热动力学分子基准测试路线图

Cigrang, Léon L E; Curchod, Basile F E; Ingle, Rebecca A; Kelly, Aaron; Mannouch, Jonathan R; Accomasso, Davide; Alijah, Alexander; Barbatti, Mario; Chebbi, Wiem; Došlić, Nadja; Eklund, Elliot C; Fernandez-Alberti, Sebastian; Freibert, Antonia; González, Leticia; Granucci, Giovanni; Hernández, Federico J; Hernández-Rodríguez, Javier; Jain, Amber; Janoš, Jiří; Kassal, Ivan; Kirrander, Adam; Lan, Zhenggang; Larsson, Henrik R; Lauvergnat, David; Le Dé, Brieuc; Lee, Yeha; Maitra, Neepa T; Min, Seung Kyu; Peláez, Daniel; Picconi, David; Qiu, Zixing; Raucci, Umberto; Robertson, Patrick; Sangiogo Gil, Eduarda; Sapunar, Marin; Schürger, Peter; Sinnott, Patrick; Tretiak, Sergei; Tikku, Arkin; Vindel-Zandbergen, Patricia; Worth, Graham A; Agostini, Federica; Gómez, Sandra; Ibele, Lea M; Prlj, Antonio

Exact Factorization Adventures: A Promising Approach for Non-Bound States

精确因子分解探索:一种用于非束缚态的有前景的方法

Villaseco Arribas, Evaristo; Agostini, Federica; Maitra, Neepa T

Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics

基于精确因子分解方法的非绝热动力学退相干修正研究

Vindel-Zandbergen, Patricia; Ibele, Lea M; Ha, Jong-Kwon; Min, Seung Kyu; Curchod, Basile F E; Maitra, Neepa T

Case studies of the time-dependent potential energy surface for dynamics in cavities

空腔动力学时变势能面的案例研究

Martinez, Phillip; Rosenzweig, Bart; Hoffmann, Norah M; Lacombe, Lionel; Maitra, Neepa T

Time-resolved spectroscopy in time-dependent density functional theory: an exact condition

时间分辨光谱在时变密度泛函理论中的应用:一个精确条件

Fuks, Johanna I; Luo, Kai; Sandoval, Ernesto D; Maitra, Neepa T

Kinetic and interaction components of the exact time-dependent correlation potential

精确时变相关势的动力学和相互作用分量

Luo, Kai; Fuks, Johanna I; Sandoval, Ernesto D; Elliott, Peter; Maitra, Neepa T