Variational Principles in Quantum Monte Carlo: The Troubled Story of Variance Minimization-Reference-Cited by-同舟云学术

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Variational Principles in Quantum Monte Carlo: The Troubled Story of Variance Minimization

Published:2020-05-17 Issue:7 Volume:16 Page:4203-4212
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cuzzocrea Alice¹^ORCID,Scemama Anthony²,Briels Wim J.¹,Moroni Saverio³⁴,Filippi Claudia¹^ORCID

Affiliation:

1. MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands

2. Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, 118 route de Narbonne, 31062 Toulouse Cedex 09, France

3. CNR-IOM DEMOCRITOS, Istituto Officina dei Materiali, Via Bonomea 265, I-34136 Trieste, Italy

4. SISSA Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste, Italy

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00147

Reference46 articles.

1. Absorption Spectrum of the Green Fluorescent Protein Chromophore: A Difficult Case for ab Initio Methods?

2. Excited states of methylene from quantum Monte Carlo

3. Photoisomerization of Model Retinal Chromophores: Insight from Quantum Monte Carlo and Multiconfigurational Perturbation Theory

4. Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods

5. Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls

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4. Fighting Noise with Noise: A Stochastic Projective Quantum Eigensolver;Journal of Chemical Theory and Computation;2024-07-02

5. In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back;Advanced Materials;2024-05-25

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