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A simplified released-node quantum Monte Carlo calculation of the ground state of LiH

✍ Scribed by Chen, Bin; Anderson, James B.

Book ID
121803233
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
338 KB
Volume
102
Category
Article
ISSN
0021-9606

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## Abstract We report calculations of the ground state energy and binding curve of the chromium dimer using the variational and diffusion quantum Monte Carlo (VMC and DMC) methods. We examined various single‐determinant and multideterminant wavefunctions multiplied by a Jastrow factor as a trial/gu