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Chemistry

D-Index
58
Citations
8566
World Ranking
10897
National Ranking
293

Overview

Marcel Nooijen is affiliated with the University of Waterloo in Canada. Their research predominantly spans the fields of Physics and Astronomy as well as Chemistry, with a focus on several specialized subfields and topics.

Their main subfields of study include:

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Organic Chemistry
  • Electronic, Optical and Magnetic Materials
  • Physical and Theoretical Chemistry

The primary topics covered in their research are:

  • Advanced Chemical Physics Studies
  • Spectroscopy and Quantum Chemical Studies
  • Chemical Thermodynamics and Molecular Structure
  • Photochemistry and Electron Transfer Studies
  • Mass Spectrometry Techniques and Applications
  • Quantum, superfluid, helium dynamics
  • Theoretical and Computational Physics

Marcel Nooijen has published in a variety of scientific journals, with frequent contributions to:

  • The Journal of Chemical Physics
  • Molecular Physics
  • Journal of Chemical Theory and Computation
  • ChemPhysChem
  • arXiv (Cornell University)

Some of the recent papers co-authored by Marcel Nooijen include:

  • "A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods" (2020) in Journal of Chemical Theory and Computation
  • "UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine" (2021) in Physical Chemistry Chemical Physics
  • "Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals" (2021) in The Journal of Chemical Physics
  • "Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H2O-N2 and D2O-N2 complexes" (2020) in The Journal of Chemical Physics
  • "A perturbative approach to multireference equation-of-motion coupled cluster" (2021) in Molecular Physics

Frequent collaborators in Marcel Nooijen's research include:

  • Songhao Bao
  • Neil Raymond
  • Tao Zeng
  • Róbert Izsák
  • Ondřej Demel

Best Publications

  • Equation of motion coupled cluster method for electron attachment

    Marcel Nooijen;Rodney J. Bartlett

  • Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons

    Marcel Nooijen;Rodney J. Bartlett

  • A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory

    Marcel Nooijen;Rodney J. Bartlett

  • Electron correlation effects on the theoretical calculation of nuclear magnetic resonance spin–spin coupling constants

    S. Ajith Perera;Marcel Nooijen;Rodney J. Bartlett

  • Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models

    G. Baumgartner;A. Auer;D.E. Bernholdt;A. Bibireata

  • Coupled cluster Green's function method: Working equations and applications

    Marcel Nooijen;Jaap G. Snijders

  • Coupled cluster approach to the single-particle Green's function

    Marcel Nooijen;Jaap G. Snijders

  • Description of core‐excitation spectra by the open‐shell electron‐attachment equation‐of‐motion coupled cluster method

    Marcel Nooijen;Rodney J. Bartlett

  • Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis

    So Hirata;Marcel Nooijen;Ireneusz Grabowski;Rodney J. Bartlett

  • Combined coupled-cluster and many-body perturbation theories.

    So Hirata;Peng Dong Fan;Alexander A. Auer;Marcel Nooijen

  • Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin

    Marcel Nooijen;Rodney J. Bartlett

  • Automatic code generation for many-body electronic structure methods: the tensor contraction engine‡‡

    Alexander A. Auer;Gerald Baumgartner;David E. Bernholdt;Alina Bibireata

  • Alternative ansätze in single reference coupled-cluster theory. III. A critical analysis of different methods

    Péter G. Szalay;Marcel Nooijen;Rodney J. Bartlett

  • Simplified methods for equation-of-motion coupled-cluster excited state calculations

    Steven R. Gwaltney;Marcel Nooijen;Rodney J. Bartlett

  • High-order determinantal equation-of-motion coupled-cluster calculations for electronic excited states

    So Hirata;Marcel Nooijen;Rodney J. Bartlett

  • Many‐body similarity transformations generated by normal ordered exponential excitation operators

    Unknown

  • First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approach.

    Anirban Hazra;Hannah H. Chang;Marcel Nooijen

  • A state-specific partially internally contracted multireference coupled cluster approach

    Dipayan Datta;Liguo Kong;Marcel Nooijen

  • Extended similarity transformed equation-of-motion coupled cluster theory (extended-STEOM-CC): Applications to doubly excited states and transition metal compounds

    Marcel Nooijen;Victor Lotrich

  • Vibronic coupling and double excitations in linear response time-dependent density functional calculations: dipole-allowed states of N2

    Johannes Neugebauer;Evert Jan Baerends;Marcel Nooijen

  • Derivation and efficient implementation of a recursion formula to calculate harmonic Franck–Condon factors for polyatomic molecules

    Anirban Hazra;Marcel Nooijen

  • Dynamically screened local correlation method using enveloping localized orbitals.

    Alexander A. Auer;Marcel Nooijen

Frequent Co-Authors

Rodney J. Bartlett
Rodney J. Bartlett University of Florida
So Hirata
So Hirata University of Illinois at Urbana-Champaign
P. Sadayappan
P. Sadayappan University of Utah
J. Ramanujam
J. Ramanujam Louisiana State University
Robert J. Harrison
Robert J. Harrison Murdoch University
Frank Neese
Frank Neese Max Planck Society
Russell M. Pitzer
Russell M. Pitzer The Ohio State University
Evert Jan Baerends
Evert Jan Baerends Vrije Universiteit Amsterdam
Sriram Krishnamoorthy
Sriram Krishnamoorthy University of California, Santa Barbara
Johannes Neugebauer
Johannes Neugebauer University of Münster

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