74 citations · 162 across the 6 of their papers we have counts for
6 papers
QMeCha: quantum Monte Carlo package for fermions in embedding environments
Matteo Barborini, Jorge Charry, Matej Ditte +3
We present the first open access version of the QMeCha (Quantum MeCha) code, a quantum Monte Carlo (QMC) package developed to study many-body interactions between different types o…
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani +30
Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and mole…
Molecules in Environments: Towards Systematic Quantum Embedding of Electrons and Drude Oscillators
Matej Ditte, Matteo Barborini, Leonardo Medrano Sandonas +1
We develop a quantum embedding method that enables accurate and efficient treatment of interactions between molecules and an environment, while explicitly including many-body corre…
The three-center two-positron bond
Jorge Charry, Félix Moncada, Matteo Barborini +4
Computational studies have shown that one or more positrons can stabilize two repelling atomic anions through the formation of two-center positronic bonds. In the present work, we…
TurboRVB: a many-body toolkit for {\it ab initio} electronic simulations by quantum Monte Carlo
Kousuke Nakano, Claudio Attaccalite, Matteo Barborini +9
TurboRVB is a computational package for {\it ab initio} Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well e…
Carbon nanotubes as excitonic insulators
Daniele Varsano, Sandro Sorella, Davide Sangalli +4
Fifty years ago Walter Kohn speculated that a zero-gap semiconductor might be unstable against the spontaneous generation of excitons---electron-hole pairs bound together by Coulom…