Concepedia

Harmonic Vibrational Approximation

The "Harmonic Vibrational Approximation" is a theoretical model in molecular spectroscopy that assumes molecular vibrations can be described as harmonic oscillations about equilibrium positions, where the potential energy varies quadratically with displacement, thereby neglecting anharmonic effects.

349

Publications

19.7K

Citations

830

Authors

403

Institutions

Publications per year

2017–2026

42

Parents

Publications

349

Simplified CCSD(T)-F12 methods: Theory and benchmarks

Gerald Knizia, Thomas B. Adler, Hans‐Joachim Werner · The Journal of Chemical Physics · 2009 · 2K citations

, , +16

Anharmonic vibrational properties by a fully automated second-order perturbative approach

Vincenzo Barone · The Journal of Chemical Physics · 2004 · 1.6K citations

, , +14

Accurate and Facile Approximation for Vibrational Energy-Level Sums

G.Z. Whitten, B. S. Rabinovitch · The Journal of Chemical Physics · 1963 · 528 citations

, , +17

Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

Małgorzata Biczysko, Giovanni Scalmani, Julien Bloino et al. · Journal of Chemical Theory and Computation · 2010 · 328 citations

, , +17

Thermodynamics and lattice vibrations of minerals: 3. Lattice dynamics and an approximation for minerals with application to simple substances and framework silicates

S. W. Kieffer · Reviews of Geophysics · 1979 · 323 citations

, , +17

1–5 of 349

Authors

830

  1. HF
    Henry F. Schaefer

    University of Georgia, United States

    10 publications · 468 citations

    10

    h-index

  2. VB
    Vincenzo Barone

    Scuola Normale Superiore, Italy

    10 publications · 2.8K citations

    10

    h-index

  3. RB
    R. Benny Gerber

    Hebrew University of Jerusalem, Israel

    9 publications · 359 citations

    9

    h-index

  4. PC
    Philippe Carbonnière

    Université de Pau et des Pays de l'Adour, France

    7 publications · 385 citations

    7

    h-index

  5. CP
    Claude Pouchan

    Université de Pau et des Pays de l'Adour, France

    6 publications · 274 citations

    6

    h-index

1–5 of 830

Institutions

403

  1. Centre National de la Recherche Scientifique

    Paris, France

    14 h-index

    37 publications

    1.1K citations

  2. Hebrew University of Jerusalem

    Jerusalem, Israel

    12 h-index

    20 publications

    840 citations

  3. University of California, Irvine

    Irvine, United States

    11 h-index

    15 publications

    732 citations

  4. Université de Pau et des Pays de l'Adour

    Pau, France

    7 h-index

    17 publications

    439 citations

  5. University of Georgia

    Athens, United States

    7 h-index

    19 publications

    849 citations

  6. Institut des Sciences Analytiques et de Physico-Chimie pour l'Environnement et les Matériaux

    Pau, France

    6 h-index

    15 publications

    531 citations

  7. University of Minnesota

    Minneapolis, United States

    6 h-index

    14 publications

    607 citations

  8. The University of Tokyo

    Tokyo, Japan

    6 h-index

    13 publications

    790 citations

1–8 of 403

Venues

  1. The Journal of Chemical Physics

    77 publications · 7.8K citations

    37

    h-index

  2. The Journal of Physical Chemistry A

    28 publications · 902 citations

    19

    h-index

  3. Chemical Physics Letters

    20 publications · 947 citations

    15

    h-index

  4. Journal of Chemical Theory and Computation

    JCTC · 15 publications · 957 citations

    14

    h-index

  5. Journal of Molecular Structure

    14 publications · 385 citations

    13

    h-index

1–5