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Henry F. Schaefer

Active 1968–2025

100
Papers
33,719
Citations
78
h-index
95
i10-index

Citations

Citations per year for Henry F. Schaefer1971: 1 citations1974: 5 citations1975: 1 citations1977: 5 citations1979: 9 citations1980: 9 citations1981: 13 citations1982: 10 citations1983: 7 citations1984: 7 citations1985: 22 citations1986: 23 citations1987: 26 citations1988: 38 citations1989: 30 citations1990: 36 citations1991: 40 citations1992: 26 citations1993: 74 citations1994: 23 citations1995: 42 citations1996: 64 citations1997: 40 citations1998: 53 citations1999: 57 citations2000: 63 citations2001: 48 citations2002: 68 citations2003: 55 citations2004: 86 citations2005: 73 citations2006: 79 citations2007: 115 citations2008: 98 citations2009: 130 citations2010: 127 citations2011: 156 citations2012: 130 citations2013: 123 citations2014: 114 citations2015: 101 citations2016: 87 citations2017: 105 citations2018: 76 citations2019: 236 citations2020: 235 citations2021: 196 citations2022: 185 citations2023: 154 citations2024: 217 citations2025: 96 citations2026: 11 citations1972–1973: no citations, so these years are not shown1976: no citations, so this year is not shown1978: no citations, so this year is not shown

Citation sources

Countries

World map of the countries and regions citing this authorUnited States: 1,348 citing papers, 32.3% of this breakdownGermany: 427 citing papers, 10.2% of this breakdownChina: 289 citing papers, 6.9% of this breakdownUnited Kingdom: 211 citing papers, 5.1% of this breakdownFrance: 148 citing papers, 3.5% of this breakdownCanada: 144 citing papers, 3.4% of this breakdownJapan: 118 citing papers, 2.8% of this breakdownSpain: 107 citing papers, 2.6% of this breakdownItaly: 107 citing papers, 2.6% of this breakdownIndia: 88 citing papers, 2.1% of this breakdownSwitzerland: 85 citing papers, 2% of this breakdownPoland: 83 citing papers, 2% of this breakdown
0%32.3%Other 24.5%

Institutions

Fields

  • Physics and Astronomy31.3%
  • Chemistry20.9%
  • Materials Science12%
  • Biochemistry, Genetics and Molecular Biology11.9%
  • Computer Science11.8%
  • Medicine3.4%
  • Other8.7%

Topics

  • Advanced Chemical Physics Studies12.5%
  • Spectroscopy and Quantum Chemical Studies7.3%
  • Machine Learning in Materials Science4%
  • Protein Structure and Dynamics3.6%
  • Computational Drug Discovery Methods3.2%
  • Crystallography and molecular interactions2.7%
  • Other66.7%

Coauthors

All papers

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  1. P SI4 1.4: Open-source software for high-throughput quantum chemistry

    Authors: Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Cole Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew M. James, Susi Lehtola, Jonathon P. Misiewicz, Maximilian Scheurer, Robert A. Shaw, Jeffrey B. Schriber, Yi Xie, Zachary L. Glick, Dominic A. Sirianni, Joseph O'Brien, Jonathan M. Waldrop, Ashutosh Kumar, Edward G. Hohenstein, Benjamin P. Pritchard, Bernard R. Brooks, Henry F. Schaefer, Alexander Yu. Sokolov, Konrad Patkowski, A. Eugene DePrince, Uğur Bozkaya, Rollin A. King, Francesco A. Evangelista, Justin M. Turney, T. Daniel Crawford, C. David Sherrill - The Journal of Chemical Physics 2020 cited by 1,001

  2. Advances in methods and algorithms in a modern quantum chemistry program package

    Authors: Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kußmann, Christian Ochsenfeld, Shawn T. Brown, Andrew T. B. Gilbert, Lyudmila V. Slipchenko, Sergey V. Levchenko, D.P. O'Neill, Robert A. DiStasio, Rohini C. Lochan, Tao Wang, Gregory J. O. Beran, Nicholas A. Besley, John M. Herbert, Ching Yeh Lin, Troy Van Voorhis, Siu Hung Chien, Alexander J. Sodt, Ryan P. Steele, Vitaly A. Rassolov, Paul E. Maslen, Prakashan Korambath, Ross D. Adamson, Brian Austin, Jon Baker, Edward F. C. Byrd, Holger Dachsel, Robert J. Doerksen, Andreas Dreuw, Barry D. Dunietz, Anthony D. Dutoi, Thomas R. Furlani, Steven R. Gwaltney, Andreas Heyden, So Hirata, Chao‐Ping Hsu, Gary S. Kedziora, Rustam Z. Khalliulin, Phil Klunzinger, Aaron M. Lee, Michael S. Lee, WanZhen Liang, Itay Lotan, Nikhil U. Nair, Baron Peters, Emil Proynov, Piotr A. Pieniazek, Young Min Rhee, Jim Ritchie, Edina Rosta, C. David Sherrill, Andrew C. Simmonett, Joseph E. Subotnik, H. Lee Woodcock, Wei-Min Zhang, Alexis T. Bell, Arup K. Chakraborty, Daniel M. Chipman, Frerich J. Keil, Arieh Warshel, Warren J. Hehre, Henry F. Schaefer, Jing Kong, Anna I. Krylov, Peter M. W. Gill, Martin Head‐Gordon - Physical Chemistry Chemical Physics 2006 cited by 2,800

  3. Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

    Authors: Robert M. Parrish, Lori A. Burns, Daniel G. A. Smith, Andrew C. Simmonett, A. Eugene DePrince, Edward G. Hohenstein, Uğur Bozkaya, Alexander Yu. Sokolov, Roberto Di Remigio, Ryan M. Richard, Jérôme F. Gonthier, Andrew M. James, Harley R. McAlexander, Ashutosh Kumar, Masaaki Saitow, Xiao Wang, Benjamin P. Pritchard, Prakash Verma, Henry F. Schaefer, Konrad Patkowski, Rollin A. King, Edward F. Valeev, Francesco A. Evangelista, Justin M. Turney, T. Daniel Crawford, C. David Sherrill - Journal of Chemical Theory and Computation 2017 cited by 1,245

  4. Psi4: an open‐source ab initio electronic structure program

    Authors: Justin M. Turney, Andrew C. Simmonett, Robert M. Parrish, Edward G. Hohenstein, Francesco A. Evangelista, Justin T. Fermann, Benjamin Mintz, Lori A. Burns, Jeremiah J Wilke, Micah L. Abrams, Nicholas J. Russ, Matthew L. Leininger, Curtis L. Janssen, Edward T. Seidl, Wesley D. Allen, Henry F. Schaefer, Rollin A. King, Edward F. Valeev, C. David Sherrill, T. Daniel Crawford - Wiley Interdisciplinary Reviews Computational Molecular Science 2011 cited by 1,076

  5. An Introduction to Coupled Cluster Theory for Computational Chemists

    Authors: T. Daniel Crawford, Henry F. Schaefer - Reviews in computational chemistry 2000 cited by 849

  6. An efficient reformulation of the closed-shell coupled cluster single and double excitation (CCSD) equations

    Authors: Gustavo E. Scuseria, Curtis L. Janssen, Henry F. Schaefer - The Journal of Chemical Physics 1988 cited by 1,668

  7. Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

    Authors: Daniel G. A. Smith, Annabelle Lolinco, Zachary L. Glick, Jiyoung Lee, Asem Alenaizan, Taylor Barnes, Carlos H. Borca, Roberto Di Remigio, David Dotson, Sebastian Ehlert, Alexander G. Heide, Michael F. Herbst, Jan Hermann, Colton B. Hicks, Joshua T. Horton, Adrian G. Hurtado, Peter Kraus, Holger Kruse, Sebastian J. R. Lee, Jonathon P. Misiewicz, Levi N. Naden, Farhad Ramezanghorbani, Maximilian Scheurer, Jeffrey B. Schriber, Andrew C. Simmonett, Johannes Steinmetzer, Jeffrey Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D. Chodera, Andreas Dreuw, Heather J. Kulik, Fang Liu, Todd J. Martı́nez, Devin A. Matthews, Henry F. Schaefer, Jiřı́ Šponer, Justin M. Turney, Lee‐Ping Wang, Nuwan De Silva, Rollin A. King, John F. Stanton, Mark S. Gordon, Theresa L. Windus, C. David Sherrill, Lori A. Burns - The Journal of Chemical Physics 2021 cited by 45

  8. Methods of Electronic Structure Theory

    Authors: Henry F. Schaefer - 1977 cited by 2,750

  9. The Configuration Interaction Method: Advances in Highly Correlated Approaches

    Authors: C. David Sherrill, Henry F. Schaefer - Advances in quantum chemistry 1999 cited by 441

  10. Electrophilic Aromatic Substitution: New Insights into an Old Class of Reactions

    Authors: Boris Galabov, Didi Nalbantova, Paul von Ragué Schleyer, Henry F. Schaefer - Accounts of Chemical Research 2016 cited by 207

  11. Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations

    Authors: Jonathan C. Rienstra-Kiracofe, Gregory S. Tschumper, Henry F. Schaefer, Sreela Nandi, G. Barney Ellison - Chemical Reviews 2002 cited by 1,254

  12. Mindless Chemistry

    Authors: Partha P. Bera, Kurt W. Sattelmeyer, Martin Saunders, Henry F. Schaefer, Paul von Ragué Schleyer - The Journal of Physical Chemistry A 2006 cited by 213

  13. On the evaluation of analytic energy derivatives for correlated wave functions

    Authors: Nicholas C. Handy, Henry F. Schaefer - The Journal of Chemical Physics 1984 cited by 893

  14. A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules

    Authors: Wesley D. Allen, Yukio Yamaguchi, Attila G. Császár, D. Allen Clabo, Richard B. Remington, Henry F. Schaefer - Chemical Physics 1990 cited by 321

  15. Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA-intercalator interactions

    Authors: Edward G. Hohenstein, Robert M. Parrish, C. David Sherrill, Justin M. Turney, Henry F. Schaefer - The Journal of Chemical Physics 2011 cited by 239

  16. PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

    Authors: Adam S. Abbott, Justin M. Turney, Boyi Zhang, Daniel G. A. Smith, Doaa Altarawy, Henry F. Schaefer - Journal of Chemical Theory and Computation 2019 cited by 77

  17. Janus: An Extensible Open-Source Software Package for Adaptive QM/MM Methods

    Authors: Boyi Zhang, Doaa Altarawy, Taylor Barnes, Justin M. Turney, Henry F. Schaefer - Journal of Chemical Theory and Computation 2019 cited by 16

  18. Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?

    Authors: Gustavo E. Scuseria, Henry F. Schaefer - The Journal of Chemical Physics 1989 cited by 1,179

  19. A new implementation of the full CCSDT model for molecular electronic structure

    Authors: Gustavo E. Scuseria, Henry F. Schaefer - Chemical Physics Letters 1988 cited by 680

  20. Mechanisms for CO Production from CO2 Using Reduced Rhenium Tricarbonyl Catalysts

    Authors: Jay Agarwal, Etsuko Fujita, Henry F. Schaefer, James T. Muckerman - Journal of the American Chemical Society 2012 cited by 235

  21. Interactions of Electrons with Bare and Hydrated Biomolecules: From Nucleic Acid Bases to DNA Segments

    Authors: Jiande Gu, Jerzy Leszczyński, Henry F. Schaefer - Chemical Reviews 2012 cited by 210

  22. Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate mutase

    Authors: H. Lee Woodcock, Milan Hodošček, Paul Sherwood, Yong S. Lee, Henry F. Schaefer, Bernard R. Brooks - Theoretical Chemistry Accounts 2003 cited by 108

  23. Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis

    Authors: Sarah N. Elliott, Kevin B. Moore, Andreas V. Copan, Murat Keçeli, Carlo Cavallotti, Yuri Georgievskii, Henry F. Schaefer, Stephen J. Klippenstein - Combustion Institute, Proceedings of the Combustion Institute 2020 cited by 57

  24. Multi-fidelity Gaussian process modeling for chemical energy surfaces

    Authors: Avery E. Wiens, Andreas V. Copan, Henry F. Schaefer - Chemical Physics Letters 2019 cited by 26