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19 papers · 1 filter
The Insulating State of Matter: A Geometrical Theory
Raffaele Resta
In 1964 W. Kohn published the milestone paper "Theory of the insulating state'", according to which insulators and metals differ in their ground state. Even before the system is ex…
Towards a density functional description of liquid pH2
J. Navarro, F. Ancilotto, M. Barranco +1
A finite-temperature density functional approach to describe the properties of parahydrogen in the liquid-vapor coexistence region is presented. The first proposed functional is ze…
Magnetism and domain formation in SU(3)-symmetric multi-species Fermi mixtures
Irakli Titvinidze, Antonio Privitera, Soon-Yong Chang +4
We study the phase diagram of an SU(3)-symmetric mixture of three-component ultracold fermions with attractive interactions in an optical lattice, including the additional effect o…
Ab-initio calculations for the beta-tin diamond transition in Silicon: comparing theories with experiments
Sandro Sorella, Michele Casula, Leonardo Spanu +1
We investigate the pressure-induced metal-insulator transition from diamond to beta-tin in bulk Silicon, using quantum Monte Carlo (QMC) and density functional theory (DFT) approac…
Valence-bond crystal in the extended kagome spin-1/2 quantum Heisenberg antiferromagnet: A variational Monte Carlo approach
Yasir Iqbal, Federico Becca, Didier Poilblanc
The highly-frustrated spin-1/2 quantum Heisenberg model with both nearest () and next-nearest () neighbor exchange interactions is revisited by using an extended variatio…
Algorithmic differentiation and the calculation of forces by quantum Monte Carlo
Sandro Sorella, Luca Capriotti
We describe an efficient algorithm to compute forces in quantum Monte Carlo using adjoint algorithmic differentiation. This allows us to apply the space warp coordinate transformat…