Atomistic Computer Simulations: A Practical Guide

Many books explain the theory of atomistic computer simulations; this book teaches you how to run them

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Posts tagged “ExcitedStates”

How do we establish the accuracy of a method ? Full CI quantum Monte Carlo

November 25, 2015 . accuracy .
An overview of full CI quantum Monte Carlo and a discussion of accuracy
testing Accuracy ExcitedStates

Coherence penalty functional

June 17, 2014 . Techniques .
How can we characterise the accuracy of solid-state DFT codes ?
ExcitedStates non-adiabatic

Approaches to non-adiabatic calculations

June 6, 2014 . techniques .

ExcitedStates