Publications by authors named "Manolo C Per"

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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, Dario Alfé, Tyler A Anderson, Manolo C Per

J Chem Phys· September 2025

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Reducing the time-step errors in diffusion Monte Carlo.
Tyler A Anderson, Manolo C Per, C J Umrigar

J Chem Phys· March 2024

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Reliable radical stabilization energies from diffusion Monte Carlo calculations.
Manolo C Per, Emily K Fletcher, Ellen T Swann, Deidre M Cleland

J Comput Chem· October 2020

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Density functional orbitals in quantum Monte Carlo: The importance of accurate densities.
Manolo C Per, Emily K Fletcher, Deidre M Cleland

J Chem Phys· May 2019

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Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo.
Manolo C Per, Deidre M Cleland

J Chem Phys· April 2017

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Performance of quantum Monte Carlo for calculating molecular bond lengths.
Deidre M Cleland, Manolo C Per

J Chem Phys· March 2016

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Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes.
Hongqing Shi, Robert J Rees, Manolo C Per, Amanda S Barnard

Nanoscale· February 2015

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Size and shape dependent deprotonation potential and proton affinity of nanodiamond.
Amanda S Barnard, Manolo C Per

Nanotechnology· November 2014

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Ab initio electronic properties of dual phosphorus monolayers in silicon.
Daniel W Drumm, Manolo C Per, Akin Budi, Lloyd Cl Hollenberg, Salvy P Russo

Nanoscale Res Lett· September 2014

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Delocalized oxygen as the origin of two-level defects in Josephson junctions.
Timothy C DuBois, Manolo C Per, Salvy P Russo, Jared H Cole

Phys Rev Lett· February 2013

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Ab initio calculation of valley splitting in monolayer δ-doped phosphorus in silicon.
Daniel W Drumm, Akin Budi, Manolo C Per, Salvy P Russo, Lloyd C L Hollenberg

Nanoscale Res Lett· February 2013

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How Important is Orbital Choice in Single-Determinant Diffusion Quantum Monte Carlo Calculations?
Manolo C Per, Kelly A Walker, Salvy P Russo

J Chem Theory Comput· July 2012

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Zero-variance zero-bias quantum Monte Carlo estimators for the electron density at a nucleus.
Manolo C Per, Ian K Snook, Salvy P Russo

J Chem Phys· October 2011

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Anisotropic intracule densities and electron correlation in H2: a quantum Monte Carlo study.
Manolo C Per, Salvy P Russo, Ian K Snook

J Chem Phys· April 2009

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An analysis of the correlation energy contribution to the interaction energy of inert gas dimers.
Ian Snook, Manolo C Per, Salvy P Russo

J Chem Phys· October 2008

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Electron-nucleus cusp correction and forces in quantum Monte Carlo.
Manolo C Per, Salvy P Russo, Ian K Snook

J Chem Phys· March 2008

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