Variational Monte Carlo calculations of ground states of liquidanddrops
- 1 October 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 34 (7) , 4571-4582
- https://doi.org/10.1103/physrevb.34.4571
Abstract
Variational Monte Carlo calculations of the ground states of drops containing 8–728 atoms of and 20–240 atoms of have been made. The variational wave functions include two- and three-body correlations and (for the Fermi drops) Feynman-Cohen backflow. We discuss the wave functions, their relation to modern variational wave functions for liquid and , the calculational techniques, and the results for the ground-state energies and density profiles. Our calculations indicate that drops with more than 40 atoms are bound, while a drop with 20 atoms is in a metastable state that has positive energy but negative chemical potential. The surface tensions of both liquid and are obtained by liquid-drop fits to the calculated binding energies. From the density profiles of the largest drops we estimate the surface thickness of liquid to be 7 Å while that for liquid is 8 Å.
Keywords
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