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List of works by Gareth W Richings

A Practical Diabatisation Scheme for Use with the Direct-Dynamics Variational Multi-Configuration Gaussian Method.

scientific article published on 30 September 2015

A new diabatization scheme for direct quantum dynamics: Procrustes diabatization

scientific article published on 01 April 2020

Can we use on-the-fly quantum simulations to connect molecular structure and sunscreen action?

scientific article published on 01 July 2019

Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide

scientific article published on 01 December 2018

Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces

scientific article published on 18 July 2017

Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression

scientific article published on 28 January 2019

Dynamic Stark control: model studies based on the photodissociation of IBr.

scientific article

Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence

scientific article published on 01 November 2008

MCTDH on-the-fly: Efficient grid-based quantum dynamics without pre-computed potential energy surfaces

scientific article published on 01 April 2018

Non-resonant dynamic Stark control at a conical intersection: the photodissociation of ammonia

scientific article published on 20 August 2012

The time-resolved photoelectron spectrum of toluene using a perturbation theory approach.

scientific article published on December 2014

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