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List of works by Lubos Mitas

A new generation of effective core potentials from correlated and spin–orbit calculations: Selected heavy elements

scientific article published in 2022

A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions

scientific article published on 01 October 2019

Binding and excitations in SixHy molecular systems using quantum Monte Carlo

scientific article published on 01 October 2020

Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases

scientific article published in 2021

Fundamental gap of fluorographene by many-body GW and fixed-node diffusion Monte Carlo methods

scientific article published on 01 November 2020

Ground and excited electronic states of azobenzene: A quantum Monte Carlo study ⬇️

scientific article published on December 28, 2010

QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo

scientific article published on 01 May 2020

Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy

scientific article published on 6 September 2013

Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy ⬇️

scientific article published on 29 August 2014

Spin Multiplicity and Symmetry Breaking in Vanadium-Benzene Complexes ⬇️

scientific article published in Physical Review Letters

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