Marcel Nooijen

University of Waterloo — Canada

Physics and Astronomy · Physical Sciences

54h-index7.9kcitations138works2.22yr avg
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Research Topics

Advanced Chemical Physics Studies(95), Spectroscopy and Quantum Chemical Studies(51), Photochemistry and Electron Transfer Studies(17), Quantum, superfluid, helium dynamics(17), Molecular spectroscopy and chirality(16)

Publications138 total

Exploring thermal cluster cumulant approaches for the finite temperature electronic structure problem
Molecular Physics·2025· 1 cited
Vibrational Electronic-Thermofield Coupled Cluster (VE-TFCC) Theory for Quantum Simulations of Vibronic Coupling Systems at Thermal Equilibrium
Journal of Chemical Theory and Computation·2024· 4 cited
Cover Feature: Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems (ChemPhysChem 11/2024)
ChemPhysChem·2024Open Access
Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems
ChemPhysChem·2024· 1 citedOpen Access
Time dependent vibrational electronic coupled cluster (VECC) theory for non-adiabatic nuclear dynamics
The Journal of Chemical Physics·2024· 5 cited
Approaches for constraining uncertainty and degeneracy in geometry reconstruction of molecules from simulated Coulomb explosion data
Computer Physics Communications·2023· 3 cited
Time dependent Vibrational Electronic Coupled Cluster (VECC) theory for non-adiabatic nuclear dynamics
arXiv (Cornell University)·2023Open Access
Further investigations into a Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals: Multipole correction, OSV extrapolation, and critical assessment
The Journal of Chemical Physics·2023Open Access
Approaches for Constraining Uncertainty and Degeneracy in Geometry Reconstruction of Molecules from Simulated Coulomb Explosion Data
SSRN Electronic Journal·2023Open Access
The $$\gamma$$ function in quantum theory II. Mathematical challenges and paradoxa
Journal of Mathematical Chemistry·2021Open Access
Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals
The Journal of Chemical Physics·2021· 11 cited
Normal ordered exponential approach to thermal properties and time-correlation functions: general theory and simple examples
Molecular Physics·2021· 5 citedOpen Access
Normal ordered exponential approach to thermal properties and time-correlation functions: General theory and simple examples
arXiv (Cornell University)·2021Open Access
A perturbative approach to multireference equation-of-motion coupled cluster
Molecular Physics·2021· 6 citedOpen Access
UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine
Physical Chemistry Chemical Physics·2021· 11 cited
Explicitly correlated <i>ab initio</i> potential energy surface and predicted rovibrational spectra for H2O–N2 and D2O–N2 complexes
The Journal of Chemical Physics·2020· 10 cited
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
Journal of Chemical Theory and Computation·2020· 83 citedOpen Access
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled-Cluster Type Methods
2020· 1 citedOpen Access
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled-Cluster Type Methods
2020· 13 citedOpen Access
Calculation of Selenium Isotope Fractionation Using Density Functional Theory
Goldschmidt Abstracts·2020Open Access
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Frequent Co-authors

Rodney J. Bartlett(15), So Hirata(6), Alexander A. Auer(4), Liguo Kong(4), S. Ajith Perera(3), J. G. Snijders(3), Dominika Zgid(3), Anirban Hazra(3), Frank Neese(3), Róbert Izsák(3), K. R. Shamasundar(3), Gerald Baumgartner(2), David E. Bernholdt(2), Alina Bibireata(2), Venkatesh Choppella(2), Daniel Cociorva(2), Xiaoyang Gao(2), Robert J. Harrison(2), Sriram Krishnamoorthy(2), Sandhya Krishnan(2)