Search filters

Authors whose works are in public domain in at least one jurisdiction

List of works by Deidre Cleland

A study of electron affinities using the initiator approach to full configuration interaction quantum Monte Carlo

scientific article published on 01 January 2011

An explicitly correlated approach to basis set incompleteness in full configuration interaction quantum Monte Carlo.

scientific article published in October 2012

Breaking the carbon dimer: the challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods

scientific article published on 01 August 2011

Communications: Survival of the fittest: accelerating convergence in full configuration-interaction quantum Monte Carlo

scientific article published in January 2010

Density functional orbitals in quantum Monte Carlo: The importance of accurate densities

scientific article published on 01 May 2019

Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo

scientific article published on 01 April 2017

Linker conjugation effects in rhenium(I) bifunctional hole-transport/emitter molecules.

scientific article published in January 2009

NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods

scientific article published on 01 July 2020

Performance of quantum Monte Carlo for calculating molecular bond lengths.

scientific article published in March 2016

Strongly absorbing pi-pi* states in heteroleptic dipyrrin/2,2'-bipyridine ruthenium complexes: excited-state dynamics from resonance raman spectroscopy.

scientific article published on September 2010

Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study

scientific article published on 4 October 2012

Tuning the optical properties of ZnTPP using carbonyl ring fusion.

scientific article published on 25 August 2009

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo ⬇️

scientific article published on 01 December 2014

Paulina is supported by:

About Paulina

Help