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List of works by James Shee

A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo

scientific article published on 04 May 2022

Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods

scientific article published on 15 October 2018

Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations

scientific article published on 20 March 2020

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals

scientific article published on 04 April 2022

Chemical Transformations Approaching Chemical Accuracy via Correlated Sampling in Auxiliary-Field Quantum Monte Carlo.

scientific article published on 8 May 2017

Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition

scientific article published on 30 May 2019

Molecular Engineering of Chromophores to Enable Triplet-Triplet Annihilation Upconversion

scientific article published on 11 November 2020

On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

scientific article published on 27 March 2019

Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units

scientific article published on 02 July 2018

Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo

scientific article published on 19 August 2019

Solvent Mediated Excited State Proton Transfer in Indigo Carmine

scientific article published on 08 May 2020

The role of high-order electron correlation effects in a model system for non-valence correlation-bound anions

scientific article published on 01 December 2020

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