(Q46076756)

English

A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein

scientific article published in March 2009

In more languages

default values for all languages

No label defined

No description defined

Statements

scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein (English)

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

quantum Monte Carlo

1 reference

based on heuristic

inferred from title

author name string

Thomas Bouabça

1

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

Nadia Ben Amor

2

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

Daniel Maynau

3

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

Michel Caffarel

4

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

language of work or name

0 references

publication date

1 March 2009

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

130

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

11

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

114107

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

Quantum Monte Carlo simulations of solids

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

High accuracy many-body calculational approaches for excitations in molecules.

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Quantum Monte Carlo for electronic excitations of free-base porphyrin.

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Neutral and charged excitations in carbon fullerenes from first-principles many-body theories.

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Excitations in photoactive molecules from quantum Monte Carlo

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Troubleshooting time-dependent density-functional theory for photochemical applications: oxirane

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry.

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

A second order multiconfiguration SCF procedure with optimum convergence

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Optimized trial wave functions for quantum Monte Carlo calculations

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Roothaan-Hartree-Fock atomic wavefunctions

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

1 reference

https://api.crossref.org/works/10.1063%2F1.3086023

21 January 2018

Identifiers

10.1063/1.3086023

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

19 December 2017

http://europepmc.org/abstract/MED/19317531

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q46076756&oldid=2126938254"