logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
P

Péter G. Szalay

elte eotvos lorand university

53H指数
234论文数
1.1W被引数
收录论文 59
发表时间
logo
Low-Lying Excited States of Linear All-Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction线性全反式聚烯烃的低 lying 激发态：基于多参考组态相互作用的分析梯度和非绝热耦合计算的见解
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-04
err0
errOAAI
errJulio C. V. Chagas; Luan G. F. dos Santos; Silmar A. do Monte; Adélia J. A. Aquino; Felix Plasser; Ron Shepard; Péter G. Szalay; Hans Lischka; Francisco B. C. Machado
err分享
err收藏
Comparison of Theoretical Methods for Predicting Tunneling Rates: The Alanine + Hydrogen Atom Reactions at Low Temperatures预测隧道速率的理论方法比较：低温下丙氨酸 + 氢原子反应
errThe Journal of Physical Chemistry A
IF2.8
err2025-10-31
err0
PREAI
errDávid P. Jelenfi; Anita Schneiker; György Tarczay; Attila Tajti; Péter G. Szalay
err分享
err收藏
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and DynamicsCOLUMBUS─一个用于计算基态和激发态（包括自旋-轨道耦合和动力学）的高效通用程序包
errThe Journal of Physical Chemistry A
IF0
err2025-07-08
err0
errOAAI
errFelix Plasser; Hans Lischka; Ron Shepard; Péter G. Szalay; Russell M. Pitzer; Rodolpho L. R. Alves; Adelia J. A. Aquino; Jochen Autschbach; Mario Barbatti; Jhonatas R. Carvalho; Julio C. V. Chagas; Leticia González; Andreas Hansen; Bhumika Jayee; Miklos Kertesz; Francisco B. C. Machado; Spiridoula Matsika; Silmar A. do Monte; Saikat Mukherjee; Dana Nachtigallová; Reed Nieman; Vytor P. Oliveira; Markus Oppel; Carol A. Parish; Jiri Pittner; Luan G. F. dos Santos; Armin Scrinzi; Mahesh K. Sit; Rene F. K. Spada; Mushir Thodika; Daniel C. A. Valente; Álvaro Vázquez-Mayagoitia; Elizete Ventura; Julia Westermayr; Aleksandr Zaichenko; Zhiyong Zhang
err分享
err收藏
Foreword to the Special Issue for Hans Lischka
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-03-30
err0
PREAI
errAquino, Adelia J. A.; Barbatti, Mario; Szalay, Peter G.; Frenking, Gernot
err分享
err收藏
Molecular conductance calculations of single-molecule junctions using projection-based density functional embedding基于投影的密度泛函嵌入法计算单分子结的分子电导
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-15
err0
PREAI
errJelenfi, David P.; Tajti, Attila; Szalay, Peter G.
err分享
err收藏
Low-lying excited states of linear all-trans polyenes: the σ-π electron correlation and the description of ionic states线性全反式多烯的低位激发态：σ-π电子相关性和离子态的描述
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errChagas, Julio C. V.; dos Santos, Luan G. F.; Nieman, Reed; Aquino, Adelia J. A.; do Monte, Silmar A.; Plasser, Felix; Szalay, Peter G.
err分享
err收藏
H-atom-assisted formation of key radical intermediates in interstellar sugar synthesis New insights from para-H2 matrix isolation experiments
errASTRONOMY & ASTROPHYSICS
IF5.8
err2024-08-28
err3
errOAAI
errKeresztes, Barbara; Aazaad, Basheer; Schneiker, Anita; Gobi, Sandor; Ragupathy, Gopi; Szalay, Peter G.; Tarczay, Gyorgy
err分享
err收藏
Interpretation of molecular electron transport in ab initio many-electron framework incorporating zero-point nuclear motion effects
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-05-04
err1
PREAI
errJelenfi, David P.; Tajti, Attila; Szalay, Peter G.
err分享
err收藏
Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-16
err4
PREAI
errSzirmai, Adam B.; Hegely, Bence; Tajti, Attila; Kallay, Mihaly; Szalay, Peter G.
err分享
err收藏
Ab initio investigation of excited state charge transfer pathways in differently capped bithiophene cages
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-01-19
err0
errOAAI
errAlag, Ahmed Shaalan; Szalay, Peter G.; Tajti, Attila
err分享
err收藏
Benchmarking Aspects of Ab Initio Fragment Models for Accurate Excimer Potential Energy Surfaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-26
err6
errOAAI
errBarcza, Bonis; Szirmai, Adam B.; Tajti, Attila; Stanton, John F.; Szalay, Peter G.
err分享
err收藏
Accurate Prediction of Vertical Ionization Potentials and Electron Affinities from Spin-Component Scaled CC2 and ADC(2) Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-21
err11
errOAAI
errAlag, Ahmed Shaalan; Jelenfi, David P.; Tajti, Attila; Szalay, Peter G.
err分享
err收藏
Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-04-28
err4
errOAAI
errBarcza, Bonis; Szirmai, Adam B.; Szanto, Katalin J.; Tajti, Attila; Szalay, Peter G.
err分享
err收藏
Improved Description of Charge-Transfer Potential Energy Surfaces via Spin-Component-Scaled CC2 and ADC(2) Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-12-16
err18
errOAAI
errTajti, Attila; Kozma, Balazs; Szalay, Peter G.
err分享
err收藏
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-05
err62
errOAAI
errKozma, Balazs; Tajti, Attila; Demoulin, Baptiste; Izsak, Robert; Nooijen, Marcel; Szalay, Peter G.
err分享
err收藏
Coupled-cluster techniques for computational chemistry: The CFOUR program package
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-03
err491
errOAAI
errMatthews, Devin A.; Cheng, Lan; Harding, Michael E.; Lipparini, Filippo; Stopkowicz, Stella; Jagau, Thomas-C; Szalay, Peter G.; Gauss, Juergen; Stanton, John F.
err分享
err收藏
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-06
err62
errOAAI
errLischka, Hans; Shepard, Ron; Mueller, Thomas; Szalay, Peter G.; Pitzer, Russell M.; Aquino, Adelia J. A.; Araujo do Nascimento, Mayzza M.; Barbatti, Mario; Belcher, Lachlan T.; Blaudeau, Jean-Philippe; Borges, Itamer; Brozell, Scott R.; Carter, Emily A.; Das, Anita; Gidofalvi, Gergely; Gonzalez, Leticia; Hase, William L.; Kedziora, Gary; Kertesz, Miklos; Kossoski, Fabris; Machado, Francisco B. C.; Matsika, Spiridoula; do Monte, Silmar A.; Nachtigallova, Dana; Nieman, Reed; Oppel, Markus; Parish, Carol A.; Plasser, Felix; Spada, Rene F. K.; Stahlberg, Eric A.; Ventura, Elizete; Yarkony, David R.; Zhang, Zhiyong
err分享
err收藏
Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-12-10
err29
errOAAI
errTajti, Attila; Tulipan, Levente; Szalay, Peter G.
err分享
err收藏
Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-08-21
err29
errOAAI
errTajti, Attila; Szalay, Peter G.
err分享
err收藏
Accuracy of Coupled Cluster Excited State Potential Energy Surfaces
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-10-09
err28
PREAI
errTajti, Attila; Stanton, John F.; Matthews, Devin A.; Szalay, Peter G.
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
H
Henry F. Schaefer
H 指数: 128 · 论文数: 2.2K
G
Gernot Frenking
H 指数: 116 · 论文数: 1.4K
E
Emily A. Carter
H 指数: 102 · 论文数: 718
J
Jan M. L. Martin
H 指数: 88 · 论文数: 552
J
Jürgen Gauß
H 指数: 85 · 论文数: 450
查看更多