Concepedia

Electronic Spectra Simulation

Electronic Spectra Simulation is a computational methodology that models the absorption, emission, or scattering of electromagnetic radiation by matter due to electronic transitions, distinguishing itself by simulating spectral features arising specifically from quantized electronic energy level changes in atoms, molecules, or materials.

525

Publications

33.4K

Citations

1.4K

Authors

562

Institutions

Publications per year

2017–2026

80

Parents

Publications

525

EasySpin, a comprehensive software package for spectral simulation and analysis in EPR

Stefan Stoll, Arthur Schweiger · Journal of Magnetic Resonance · 2005 · 6.4K citations

, , +13

Time-dependent density functional theory for molecules in liquid solutions

Maurizio Cossi, Vincenzo Barone · The Journal of Chemical Physics · 2001 · 2.1K citations

, , +17

Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

Janet E. Del Bene, H. H. Jaffé · The Journal of Chemical Physics · 1968 · 1.3K citations

, , +16

PGOPHER: A program for simulating rotational, vibrational and electronic spectra

Colin M. Western · Journal of Quantitative Spectroscopy and Radiative Transfer · 2016 · 1.1K citations · Full text

, , +12

Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials

P. R. T. Schipper, O. V. Gritsenko, S. J. A. van Gisbergen et al. · The Journal of Chemical Physics · 2000 · 716 citations · Full text

, , +17

1–5 of 525

Authors

1.4K

  1. VB
    Vincenzo Barone

    Scuola Normale Superiore, Italy

    12 publications · 3K citations

    11

    h-index

  2. MG
    Marco Garavelli

    University of Bologna, Italy

    11 publications · 380 citations

    11

    h-index

  3. SM
    Shaul Mukamel

    University of California, Irvine, United States

    10 publications · 279 citations

    10

    h-index

  4. JB
    Julien Bloino

    Scuola Normale Superiore, Italy

    10 publications · 1K citations

    10

    h-index

  5. SD
    Sigrid D. Peyerimhoff

    University of Bonn, Germany

    10 publications · 452 citations

    10

    h-index

1–5 of 1.4K

Institutions

562

  1. University of Bologna

    Bologna, Italy

    14 h-index

    45 publications

    1.4K citations

  2. Institute for the Chemistry of OrganoMetallic Compounds

    Sesto Fiorentino, Italy

    14 h-index

    24 publications

    2.5K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    13 h-index

    46 publications

    1.2K citations

  4. Scuola Normale Superiore

    Pisa, Italy

    12 h-index

    32 publications

    1.1K citations

  5. Chinese Academy of Sciences

    Beijing, China

    10 h-index

    28 publications

    1.3K citations

  6. University of Bonn

    Bonn, Germany

    10 h-index

    23 publications

    928 citations

  7. École Polytechnique Fédérale de Lausanne

    Lausanne, Switzerland

    9 h-index

    24 publications

    779 citations

  8. University of California, Irvine

    Irvine, United States

    8 h-index

    8 publications

    228 citations

1–8 of 562

Venues

  1. The Journal of Chemical Physics

    57 publications · 7.9K citations

    32

    h-index

  2. Chemical Physics Letters

    30 publications · 1.1K citations

    20

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 18 publications · 1.5K citations

    17

    h-index

  4. 16

    h-index

  5. Physical Chemistry Chemical Physics

    PCCP · 19 publications · 894 citations

    16

    h-index

1–5