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Chemistry

D-Index
85
Citations
23513
World Ranking
2705
National Ranking
934

Overview

Timothy J. Lee is a researcher affiliated with the Ames Research Center in the United States. Their primary fields of study encompass Physics and Astronomy as well as Chemistry, with a notable focus on specific subfields such as Spectroscopy, Astronomy and Astrophysics, Atmospheric Science, Atomic and Molecular Physics, and Global and Planetary Change.

The scientific topics that Timothy J. Lee frequently addresses in their work include Molecular Spectroscopy and Structure, Atmospheric Ozone and Climate, Astrophysics and Star Formation Studies, Advanced Chemical Physics Studies, Spectroscopy and Laser Applications, Atmospheric and Environmental Gas Dynamics, and Astro and Planetary Science.

Their recent publications showcase a range of subjects within these areas, published in several scientific venues. Notable papers include:

  • Prebiotic Astrochemistry and the Formation of Molecules of Astrobiological Interest in Interstellar Clouds and Protostellar Disks, 2020, Chemical Reviews
  • PDRs4All, 2023, Astronomy and Astrophysics
  • PDRs4All: A JWST Early Release Science Program on Radiative Feedback from Massive Stars, 2022, Publications of the Astronomical Society of the Pacific
  • Highly-accurate quartic force fields for the prediction of anharmonic rotational constants and fundamental vibrational frequencies, 2020, Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
  • PDRs4All, 2024, Astronomy and Astrophysics

Timothy J. Lee frequently co-authors research with a group of colleagues, including Partha P. Bera, Xinchuan Huang, David W. Schwenke, Ryan C. Fortenberry, and Alessandra Candian.

Their publication record shows consistent contributions to key scientific venues, particularly:

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

Best Publications

  • A diagnostic for determining the quality of single‐reference electron correlation methods

    Timothy J. Lee;Peter R. Taylor

  • A doubles correction to electronic excited states from configuration interaction in the space of single substitutions

    Martin Head-Gordon;Rudolph J. Rico;Manabu Oumi;Timothy J. Lee

  • Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application

    Andrew C. Scheiner;Gustavo E. Scuseria;Julia E. Rice;Timothy J. Lee

  • The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

    Jan M. L. Martin;Timothy J. Lee;Peter R. Taylor;Jean‐Pierre François

  • The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

    Gustavo E. Scuseria;Andrew C. Scheiner;Timothy J. Lee;Julia E. Rice

  • Comparison of coupled-cluster methods which include the effects of connected triple excitations

    Gustavo E. Scuseria;Timothy J. Lee

  • Theoretical investigations of molecules composed only of fluorine, oxygen and nitrogen: determination of the equilibrium structures of FOOF, (NO)2 and FNNF and the transition state structure for FNNF cis-trans isomerization

    Timothy J. Lee;Julia E. Rice;Gustavo E. Scuseria;Henry F. Schaefer

  • Achieving Chemical Accuracy with Coupled-Cluster Theory

    Timothy J. Lee;Gustavo E. Scuseria

  • Formulation and implementation of a relativistic unrestricted coupled-cluster method including noniterative connected triples

    Lucas Visscher;Timothy J. Lee;Kenneth G. Dyall

  • Comparison of the quadratic configuration interaction and coupled cluster approaches to electron correlation including the effect of triple excitations

    Timothy J. Lee;Alistair P. Rendell;Peter R. Taylor

  • Systematic study of molecular anions within the self‐consistent‐field approximation: OH−, CN−, C2H−, NH−2, and CH−3

    Timothy J. Lee;Henry F. Schaefer

  • The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule

    Julia E. Rice;Roger D. Amos;Nicholas C. Handy;Timothy J. Lee

  • Comparison of the T1 and D1 diagnostics for electronic structure theory: a new definition for the open-shell D1 diagnostic

    Timothy J Lee

  • An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers

    Timothy J. Lee;Jan M. L. Martin;Peter R. Taylor

  • Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene

    So Hirata;So Hirata;Timothy J. Lee;Martin Head-Gordon

  • Accelerating the convergence of the coupled-cluster approach: The use of the DIIS method

    Gustavo E. Scuseria;Timothy J. Lee;Henry F. Schaefer

  • A procedure for computing accurate ab initio quartic force fields: Application to HO2+ and H2O.

    Xinchuan Huang;Timothy J. Lee

  • Electronic Absorption Spectra of Neutral Perylene (C20H12), Terrylene (C30H16), and Quaterrylene (C40H20) and Their Positive and Negative Ions: Ne Matrix-Isolation Spectroscopy and Time-Dependent Density Functional Theory Calculations

    Thomas M. Halasinski;Jennifer L. Weisman;Richard Ruiterkamp;Timothy J. Lee

  • COUPLED-CLUSTER THEORY EMPLOYING APPROXIMATE INTEGRALS : AN APPROACH TO AVOID THE INPUT/OUTPUT AND STORAGE BOTTLENECKS

    Alistair P. Rendell;Timothy J. Lee

  • Open-shell coupled-cluster theory

    Dylan Jayatilaka;Timothy J. Lee

  • On the necessity of f basis functions for bending frequencies

    Emmanuel D. Simandiras;Julia E. Rice;Timothy J. Lee;Roger D. Amos

Frequent Co-Authors

Julia E. Rice
Julia E. Rice IBM (United States)
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
Henry F. Schaefer
Henry F. Schaefer University of Georgia
Peter R. Taylor
Peter R. Taylor Tianjin University
T. Daniel Crawford
T. Daniel Crawford Virginia Tech
Jan M. L. Martin
Jan M. L. Martin Weizmann Institute of Science
Wybren Jan Buma
Wybren Jan Buma University of Amsterdam
Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Gustavo E. Scuseria
Gustavo E. Scuseria Rice University

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