Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo-Reference-Cited by-同舟云学术

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

Author:

Overy Catherine¹,Booth George H.¹²³,Blunt N. S.¹,Shepherd James J.¹,Cleland Deidre¹⁴,Alavi Ali¹⁵

Affiliation:

1. Chemistry Department, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

2. King’s College London, Theory and Simulation of Condensed Matter, The Strand, London WC2R 2LS, United Kingdom

3. Thomas Young Centre, University College London, 17 Gordon Street, London WC1H 0AH, United Kingdom

4. CSIRO Virtual Nanoscience Laboratory, 343 Royal Parade, Parkville, Victoria 3052, Australia

5. Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart, Germany

Funder

Engineering and Physical Sciences Research Council (EPSRC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference56 articles.

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