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Lithium hydride | CAS Number: 7580-67-8

Catalog Number
ACM7580678
Product Name
Lithium hydride
Structure
CAS Number
7580-67-8
Synonyms
Hydrure de lithium;hydruredelithium;LiH;Lithium hydride (LiH);lithiumhydride(lih);lithiumhydride,fusedsolid;lithiummonohydride;LITHIUM HYDRIDE
Molecular Weight
7.95
Molecular Formula
HLi
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1Excited states from quantum Monte Carlo in the basis of Slater determinants.

Humeniuk A1, Mitrić R1.

J Chem Phys. 2014 Nov 21;141(19):194104. doi: 10.1063/1.4901020.

Building on the full configuration interaction quantum Monte Carlo (FCIQMC) algorithm introduced recently by Booth et al. [J. Chem. Phys. 131, 054106 (2009)] to compute the ground state of correlated many-electron systems, an extension to the computation of excited states (exFCIQMC) is presented. The Hilbert space is divided into a large part consisting of pure Slater determinants and a much smaller orthogonal part (the size of which is controlled by a cut-off threshold), from which the lowest eigenstates can be removed efficiently. Read More

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Tel:1-201-478-8534
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Fax: 1-516-927-0118
Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA