Literature DB >> 22196085

Quantum Monte Carlo and related approaches.

Brian M Austin1, Dmitry Yu Zubarev, William A Lester.   

Abstract

Year:  2011        PMID： 22196085     DOI： 10.1021/cr2001564

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  9 in total

1.  Perspective: Quantum mechanical methods in biochemistry and biophysics.

Authors:  Qiang Cui
Journal:  J Chem Phys       Date:  2016-10-14       Impact factor: 3.488

2.  Shape and energy consistent pseudopotentials for correlated electron systems.

Authors:  J R Trail; R J Needs
Journal:  J Chem Phys       Date:  2017-05-28       Impact factor: 3.488

3.  Deep-neural-network solution of the electronic Schrödinger equation.

Authors:  Jan Hermann; Zeno Schätzle; Frank Noé
Journal:  Nat Chem       Date:  2020-09-23       Impact factor: 24.427

4.  Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model.

Authors:  Andrea Zen; Emanuele Coccia; Samer Gozem; Massimo Olivucci; Leonardo Guidoni
Journal:  J Chem Theory Comput       Date:  2015-03-10       Impact factor: 6.006

5.  The Hypernetted Chain Equations for Periodic Systems.

Authors:  Martin Panholzer
Journal:  J Low Temp Phys       Date:  2017-03-20       Impact factor: 1.570

6.  Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.

Authors:  Emanuele Coccia; Daniele Varsano; Leonardo Guidoni
Journal:  J Chem Theory Comput       Date:  2014-01-14       Impact factor: 6.006

7.  Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule.

Authors:  Andrea Zen; Ye Luo; Sandro Sorella; Leonardo Guidoni
Journal:  J Chem Theory Comput       Date:  2013-10-08       Impact factor: 6.006

8.  Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces.

Authors:  Andrea Zen; Delyan Zhelyazov; Leonardo Guidoni
Journal:  J Chem Theory Comput       Date:  2012-11-13       Impact factor: 6.006

9.  Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems.

Authors:  John A Keith; Valentin Vassilev-Galindo; Bingqing Cheng; Stefan Chmiela; Michael Gastegger; Klaus-Robert Müller; Alexandre Tkatchenko
Journal:  Chem Rev       Date:  2021-07-07       Impact factor: 60.622
  9 in total

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