290 citations · 3.3k across the 60 of their papers we have counts for
3 papers · 1 filter
Resonating valence bond wave function with molecular orbitals: Application to first-row molecules
M. Marchi, S. Azadi, M. Casula +1
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into single…
A consistent description of the iron dimer spectrum with a correlated single-determinant wave function
Michele Casula, Mariapia Marchi, Sam Azadi +1
We study the iron dimer by using an accurate ansatz for quantum chemical calculations based on a simple variational wave function, defined by a single geminal expanded in molecular…
Hexatic and mesoscopic phases in the 2D quantum Coulomb system
Bryan K. Clark, Michele Casula, D. M. Ceperley
We study the Wigner crystal melting in a two dimensional quantum system of particles interacting via the 1/r Coulomb potential. We use quantum Monte Carlo methods to calculate its…