cached image

Peter J. Knowles, Ph.D

Affiliations: 
1983-1989 University of Cambridge, Cambridge, England, United Kingdom 
 1985-1986 University of Western Ontario, London, Ontario, Canada 
 1989-1995 Chemistry University of Sussex, Falmer, England, United Kingdom 
 1995-2004 Chemistry University of Birmingham, Birmingham, England, United Kingdom 
 2004- Chemistry Cardiff University, Cardiff, Wales, United Kingdom 
Area:
Theoretical and computational chemistry
Website:
http://www.cardiff.ac.uk/people/view/38535-knowles-peter
Google:
"Peter Knowles"
Bio:

http://genealogy.theochem.uni-hannover.de/view.php?id=1679

Mean distance: 9.41
 
SNBCP
BETA: Related publications

Publications

You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Werner HJ, Knowles PJ, Manby FR, et al. (2020) The Molpro quantum chemistry package. The Journal of Chemical Physics. 152: 144107
Kreplin DA, Knowles PJ, Werner HJ. (2020) MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules. The Journal of Chemical Physics. 152: 074102
Kreplin DA, Knowles PJ, Werner HJ. (2019) Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. The Journal of Chemical Physics. 150: 194106
Krylov AI, Herbert JM, Furche F, et al. (2015) What Is the Price of Open-Source Software? The Journal of Physical Chemistry Letters. 6: 2751-4
Thomas RE, Opalka D, Overy C, et al. (2015) Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo. The Journal of Chemical Physics. 143: 054108
Wang J, Knowles PJ. (2015) Nonuniqueness of algebraic first-order density-matrix functionals Physical Review a - Atomic, Molecular, and Optical Physics. 92
Helgaker T, Knowles PJ, Lee TJ, et al. (2015) Foreword Molecular Physics. 113: 1509-1510
Knowles PJ. (2015) Compressive sampling in configuration interaction wavefunctions Molecular Physics. 113: 1655-1660
Krylov AI, Herbert JM, Furche F, et al. (2015) What is the price of open-source software? Journal of Physical Chemistry Letters. 6: 2751-2754
Robinson JB, Knowles PJ. (2013) Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory. The Journal of Chemical Physics. 138: 074104
See more...