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20072020
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 450 across the 4 of their papers we have counts for

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physics.chem-ph2017★ 4 cited

Static field-gradient polarizabilities of small atoms and molecules in finite temperature

Juha Tiihonen, Ilkka Kylänpää, Tapio T. Rantala

In this work, we propose new field-free estimators for static field-gradient polarizabilities in finite temperature PIMC simulation. Namely, dipole--quadrupole polarizability ,…

physics.chem-ph2007★ 10 cited

Hydrogen molecule ion: Path integral Monte Carlo approach

I. Kylänpää, M. Leino, T. T. Rantala

Path integral Monte Carlo approach is used to study the coupled quantum dynamics of the electron and nuclei in hydrogen molecule ion. The coupling effects are demonstrated by compa…