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M

Marcel Nooijen

university of waterloo

54H指数
139论文数
8.0K被引数
收录论文 56
发表时间
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Implications from Geometric Phase for Circulating Far Away Conical Intersection(s)几何相位对远离锥形交叉点的循环的启示
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-17
err0
PREAI
errMarcel Nooijen; Tao Zeng
err分享
err收藏
Vibrational Electronic-Thermofield Coupled Cluster (VE-TFCC) Theory for Quantum Simulations of Vibronic Coupling Systems at Thermal Equilibrium
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-01
err2
PREAI
errBao, Songhao; Raymond, Neil; Zeng, Tao; Nooijen, Marcel
err分享
err收藏
Approaches for constraining uncertainty and degeneracy in geometry reconstruction of molecules from simulated Coulomb explosion data
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2024-04-01
err1
PREAI
errTian, Kaili; Ramadhan, Ali; Nooijen, Marcel; Pantazi, Stefan V.; Karimi, Reza; Sanderson, Joseph H.
err分享
err收藏
Time dependent vibrational electronic coupled cluster (VECC) theory for non-adiabatic nuclear dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-01
err4
errOAAI
errBao, Songhao; Raymond, Neil; Nooijen, Marcel
err分享
err收藏
Further investigations into a Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals: Multipole correction, OSV extrapolation, and critical assessment
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-21
err0
errOAAI
errDemel, Ondrej; Lecours, Michael J.; Nooijen, Marcel
err分享
err收藏
Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-10-18
err6
PREAI
errDemel, Ondrej; Lecours, Michael J.; Habrovsky, Richard; Nooijen, Marcel
err分享
err收藏
Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H2O-N2 and D2O-N2 complexes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-03
err7
PREAI
errWang, Lu; Zhang, Xiao-Long; Zhai, Yu; Nooijen, Marcel; Li, Hui
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
Comparison of multireference ab initio wavefunction methodologies for X- ray absorption edges: A case study on [Fe(II/III)Cl4]2-/1- molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-12
err35
PREAI
errMaganas, Dimitrios; Kowalska, Joanna K.; Nooijen, Marcel; DeBeer, Serena; Neese, Frank
err分享
err收藏
A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-05-18
err2
errOAAI
errRaymond, Neil; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Nooijen, Marcel
err分享
err收藏
Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-04-24
err10
errOAAI
errLutz, Jesse J.; Nooijen, Marcel; Perera, Ajith; Bartlett, Rodney J.
err分享
err收藏
Similarity-transformed equation-of-motion vibrational coupled-cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-02-05
err13
PREAI
errFaucheaux, Jacob A.; Nooijen, Marcel; Hirata, So
err分享
err收藏
Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies探索垂直激发能量的低比例相似性变换运动方程方法的准确性
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-12-19
err99
PREAI
errDutta, Achintya Kumar; Nooijen, Marcel; Neese, Frank; Izsak, Robert
err分享
err收藏
Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-04-11
err45
errOAAI
errRishi, Varun; Perera, Ajith; Nooijen, Marcel; Bartlett, Rodney J.
err分享
err收藏
Automatic active space selection for the similarity transformed equations of motion coupled cluster method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-02-17
err66
PREAI
errDutta, Achintya Kumar; Nooijen, Marcel; Neese, Frank; Izsak, Robert
err分享
err收藏
Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-12-14
err29
PREAI
errHuntington, Lee M. J.; Demel, Ondrej; Nooijen, Marcel
err分享
err收藏
Application of multireference equation of motion coupled-cluster theory to transition metal complexes and an orbital selection scheme for the efficient calculation of excitation energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-05-20
err25
PREAI
errHuntington, Lee M. J.; Nooijen, Marcel
err分享
err收藏
Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-02-28
err49
errOAAI
errNooijen, Marcel; Demel, Ondrej; Datta, Dipayan; Kong, Liguo; Shamasundar, K. R.; Lotrich, V.; Huntington, Lee M.; Neese, Frank
err分享
err收藏
Additional global internal contraction in variations of multireference equation of motion coupled cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-04-02
err37
PREAI
errDemel, Ondrej; Datta, Dipayan; Nooijen, Marcel
err分享
err收藏
Multireference equation-of-motion coupled cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-11-26
err65
PREAI
errDatta, Dipayan; Nooijen, Marcel
err分享
err收藏

研究方向

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合作学者
合作期刊
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Frank Neese
H 指数: 141 · 论文数: 979
R
Rodney J. Bartlett
H 指数: 119 · 论文数: 783
E
Evert Jan Baerends
H 指数: 100 · 论文数: 434
J
Jochen Autschbach
H 指数: 84 · 论文数: 869
G
G. Scoles
H 指数: 74 · 论文数: 522
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