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Continuum variational and diffusion quantum Monte Carlo calculations

✍ Scribed by Needs, R J; Towler, M D; Drummond, N D; López Ríos, P


Book ID
111912341
Publisher
Institute of Physics
Year
2009
Tongue
English
Weight
654 KB
Volume
22
Category
Article
ISSN
0953-8984

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A method for relativistic variational Mo
✍ Hartmut Bueckert; Stuart M. Rothstein; Jan Vrbik 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 180 KB

We report formulas and describe how to estimate the relativistic energy and related properties of atoms and molecules by variational Monte Carlo (VMC) simulations, without having to resort to perturbation approximations. Quantities required for these simulations are routinely coupled in nonrelativis