Standout Papers

An efficient internally contracted multiconfiguration–reference configuration interact... 1985 2026 1998 2012 3.4k
  1. An efficient internally contracted multiconfiguration–reference configuration interaction method (1988)
    Hans‐Joachim Werner, Peter J. Knowles The Journal of Chemical Physics
  2. Molpro: a general‐purpose quantum chemistry program package (2011)
    Hans‐Joachim Werner, Peter J. Knowles et al. Wiley Interdisciplinary Reviews Computational Molecular Science
  3. A second order multiconfiguration SCF procedure with optimum convergence (1985)
    Hans‐Joachim Werner, Peter J. Knowles The Journal of Chemical Physics
  4. An efficient method for the evaluation of coupling coefficients in configuration interaction calculations (1988)
    Peter J. Knowles, Hans‐Joachim Werner Chemical Physics Letters
  5. An efficient second-order MC SCF method for long configuration expansions (1985)
    Peter J. Knowles, Hans‐Joachim Werner Chemical Physics Letters
  6. Coupled cluster theory for high spin, open shell reference wave functions (1993)
    Peter J. Knowles, Hans‐Joachim Werner et al. The Journal of Chemical Physics
  7. Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories (1994)
    Peter J. Knowles et al. Chemical Physics Letters
  8. Spin-orbit matrix elements for internally contracted multireference configuration interaction wavefunctions (2000)
    Andreas Berning, Hans‐Joachim Werner et al. Molecular Physics
  9. Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations (2003)
    Hans‐Joachim Werner, Frederick R. Manby et al. The Journal of Chemical Physics
  10. A new determinant-based full configuration interaction method (1984)
    Peter J. Knowles, Nicholas C. Handy Chemical Physics Letters
  11. Internally contracted multiconfiguration-reference configuration interaction calculations for excited states (1992)
    Peter J. Knowles, Hans‐Joachim Werner Theoretical Chemistry Accounts
  12. Restricted Møller—Plesset theory for open-shell molecules (1991)
    Peter J. Knowles, J. S. Andrews et al. Chemical Physics Letters

Immediate Impact

20 by Nobel laureates 16 from Science/Nature 165 standout
Sub-graph 1 of 17

Citing Papers

Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**
2022 Standout
Machine Learning for Chemical Reactions
2021 Standout
58 intermediate papers

Works of Peter J. Knowles being referenced

Ab initio global potential, dipole, adiabatic, and relativistic correction surfaces for the HCN–HNC system
2001
An efficient second-order MC SCF method for long configuration expansions
1985 Standout
and 26 more

Author Peers

Author Last Decade Papers Cites
Peter J. Knowles 21394 8135 2261 5498 185 26.0k
Jürgen Gauß 18111 9656 1624 4664 356 24.8k
John F. Stanton 16885 8126 1640 5310 483 24.2k
David E. Woon 14522 6240 1414 3508 84 20.6k
W. C. Lineberger 13739 5277 1913 2259 243 17.9k
Wim Klopper 13775 4936 1651 2391 316 20.7k
Trygve Helgaker 18497 9539 2258 2523 322 26.1k
Kirk A. Peterson 21263 7676 1846 5941 308 31.7k
Sigrid D. Peyerimhoff 15284 7118 1829 3963 459 18.7k
Charles W. Bauschlicher 19200 6345 3252 3558 638 27.9k
David Feller 10758 4441 1060 2578 183 16.7k

All Works

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2026