Quantum Monte Carlo (QMC) are the gold standard for correlated wavefunctions. Dynamical electron correlation is explicitly included in the QMC ansatz via the Jastrow factor, which depends on interparticle distances. QMC methods are embarrassing parallel, and allow us to efficiently exploit High-Performance Computing. We are interested in developing and applying QMC methods to electronic excited-state properties by means of linear-response theory. (Emanuele Coccia)
Quantum Monte Carlo for electronic structure
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- Written by: Emanuele Coccia
- Category: Research
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