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Chemistry

D-Index
75
Citations
23296
World Ranking
4389
National Ranking
1393

Overview

David Feller is affiliated with Washington State University in the United States. Their research spans multiple disciplines primarily within physics and chemistry, with significant contributions to atomic and molecular physics as well as chemical thermodynamics. The scientist's work has been published across a variety of notable venues.

The main fields of study that characterize their research include:

  • Physics and Astronomy
  • Chemistry

The subfields to which David Feller has contributed are:

  • Atomic and Molecular Physics, and Optics
  • Organic Chemistry
  • Materials Chemistry
  • Inorganic Chemistry
  • Atmospheric Science

Their research topics cover areas such as:

  • Advanced Chemical Physics Studies
  • Chemical Thermodynamics and Molecular Structure
  • Atmospheric chemistry and aerosols
  • Spectroscopy and Quantum Chemical Studies
  • Machine Learning in Materials Science
  • Inorganic Fluorides and Related Compounds
  • Atomic and Molecular Physics

David Feller's recent scholarly papers include:

  • "Elaborated thermochemical treatment of HF, CO, N2, and H2O: Insight into HEAT and its extensions," 2021, The Journal of Chemical Physics
  • "Sub 20 cm−1 computational prediction of the CH bond energy - a case of systematic error in computational thermochemistry," 2022, Physical Chemistry Chemical Physics
  • "Atomic isotropic hyperfine properties for first row elements (B-F) revisited," 2022, The Journal of Chemical Physics
  • "Computer-predicted ionization energy of carbon within 1 cm-1 of the best experiment," 2020, arXiv (Cornell University)
  • "Atomic isotropic hyperfine properties for second row elements (Al-Cl)," 2022, The Journal of Chemical Physics

Frequently collaborating researchers associated with David Feller include:

  • John F. Stanton
  • David H. Bross
  • Branko Ruščić
  • James H. Thorpe
  • P. Bryan Changala

The scientist's work appears regularly in the following publication venues:

  • The Journal of Chemical Physics
  • Physical Chemistry Chemical Physics
  • arXiv (Cornell University)
  • Proceedings of the 2022 International Symposium on Molecular Spectroscopy

Best Publications

  • The role of databases in support of computational chemistry calculations

    David Feller

  • Application of systematic sequences of wave functions to the water dimer

    David Feller

  • Basis Set Selection for Molecular Calculations

    Ernest R. Davidson;David Feller

  • The use of systematic sequences of wave functions for estimating the complete basis set, full configuration interaction limit in water

    David Feller

  • Hydrogen bond energy of the water dimer

    Martin W. Feyereisen;David Feller;David A. Dixon

  • On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

    Branko Ruscic;Albert F. Wagner;Lawrence B. Harding;Robert L. Asher

  • Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges

    Kirk A. Peterson;David Feller;David A. Dixon

  • An Ab Initio Investigation of the Structure and Alkali Metal Cation Selectivity of 18-Crown-6

    Eric D. Glendening;David Feller;Mark A. Thompson

  • A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures.

    David Feller;Kirk A. Peterson;David A. Dixon

  • On the effectiveness of CCSD(T) complete basis set extrapolations for atomization energies

    David Feller;Kirk A. Peterson;J. Grant Hill

  • Re-examination of atomization energies for the Gaussian-2 set of molecules

    David Feller;Kirk A. Peterson

  • Extended benchmark studies of coupled cluster theory through triple excitations

    David Feller;David A. Dixon

  • An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set

    David Feller;Kirk A. Peterson

  • Cation-Water Interactions: The M+(H2O)n Clusters for Alkali Metals, M = Li, Na, K, Rb, and Cs

    Eric D. Glendening;David Feller

  • An extended basis set ab initio study of alkali metal cation–water clusters

    David Feller;Eric D. Glendening;David E. Woon;Martin W. Feyereisen

  • One‐electron properties of several small molecules using near Hartree–Fock limit basis sets

    David Feller;Caroline M. Boyle;Ernest R. Davidson

  • Performance of CCSDT for diatomic dissociation energies

    David Feller;Jose A. Sordo

  • Enthalpies of Formation of Gas-Phase N3, N3-, N5+, and N5- from Ab Initio Molecular Orbital Theory, Stability Predictions for N5+N3- and N5+N5-, and Experimental Evidence for the Instability of N5+N3-

    David A. Dixon;David F. Feller;Karl O. Christe;william W. wilson

  • The Nature of K+/Crown Ether Interactions: A Hybrid Quantum Mechanical-Molecular Mechanical Study

    Mark A. Thompson;Eric D. Glendening;David Feller

  • Further benchmarks of a composite, convergent, statistically calibrated coupled-cluster-based approach for thermochemical and spectroscopic studies

    David Feller;Kirk A. Peterson;David A. Dixon

Frequent Co-Authors

Ernest R. Davidson
Ernest R. Davidson University of Washington
Kirk A. Peterson
Kirk A. Peterson Washington State University
David A. Dixon
David A. Dixon University of Alabama
Weston Thatcher Borden
Weston Thatcher Borden University of North Texas
Branko Ruscic
Branko Ruscic Argonne National Laboratory
Joseph S. Francisco
Joseph S. Francisco University of Pennsylvania
Martin Gouterman
Martin Gouterman University of Washington
Albert F. Wagner
Albert F. Wagner Argonne National Laboratory
Sotiris S. Xantheas
Sotiris S. Xantheas Pacific Northwest National Laboratory
Lawrence B. Harding
Lawrence B. Harding Argonne National Laboratory

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