A quantum Monte Carlo study on electron correlation effects in small aluminum hydride clusters-Reference-Cited by-同舟云学术

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A quantum Monte Carlo study on electron correlation effects in small aluminum hydride clusters

Published:2015 Issue:3 Volume:39 Page:2195-2201
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Higino Damasceno J.¹²³⁴⁵,Teixeira Rabelo J. N.¹²³⁴,Cândido Ladir¹²³⁴

Affiliation:

1. Instituto de Física

2. Universidade Federal de Goiás - UFG

3. Goiânia

4. Brazil

5. Coordenação de Física

Abstract

Using accurate methods we calculate binding energies to discuss the electron–electron interaction in the formation of Al_nH_m ionic clusters.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2015/NJ/C4NJ01746C

Reference41 articles.

1. Aluminum hydride as a hydrogen and energy storage material: Past, present and future

2. Aluminium hydride: a reversible material for hydrogen storage

3. Hydrogen storage: the remaining scientific and technological challenges

4. Photoelectron spectroscopy of the aluminum hydride anions: AlH2−, AlH3−, Al2H6−, Al3H9−, and Al4H12−

5. Stable High-Energy Density Super-Atom Clusters of Aluminum Hydride

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1. Structures and Electron Affinities of Aluminum Hydride Clusters Al_nH (n = 3–13);The Journal of Physical Chemistry A;2022-03-04

2. Roadmap on post-DFT methods for nanoscience;Nano Futures;2020-08-13

3. Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters;The Journal of Chemical Physics;2019-07-07

4. Quantum Monte Carlo study of the electron binding energies and aromaticity of small neutral and charged boron clusters;The Journal of Chemical Physics;2018-12-07

5. Analysis of the ionization potentials of small superalkali lithium clusters based on quantum Monte Carlo simulations;Chemical Physics Letters;2018-09

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