We present a variational Monte Carlo simulation of solid-liquid coexistence and interface in He-4 at T = 0 K. We employ a new, generalized form of the shadow wave function in which intershadow correlations are made explicitly dependent on a local density operator. This form allows for a unique representation of the ground state for the whole range of density extending over the two phases. In the phase transition region the stable state consists of a slab of crystal coexisting with the fluid. We obtain the local density, the order parameter, and the interfacial energy for the {100} surface of an fcc crystal.
QUANTUM-THEORY OF SOLID-LIQUID COEXISTENCE AND INTERFACE IN HE-4
Pederiva, Francesco;
1994-01-01
Abstract
We present a variational Monte Carlo simulation of solid-liquid coexistence and interface in He-4 at T = 0 K. We employ a new, generalized form of the shadow wave function in which intershadow correlations are made explicitly dependent on a local density operator. This form allows for a unique representation of the ground state for the whole range of density extending over the two phases. In the phase transition region the stable state consists of a slab of crystal coexisting with the fluid. We obtain the local density, the order parameter, and the interfacial energy for the {100} surface of an fcc crystal.File in questo prodotto:
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