Linked Coupled Cluster Monte Carlo
- đ¤ Speaker: Ruth Franklin
- đ Date & Time: Friday 27 November 2015, 12:20 - 12:40
- đ Venue: Unilever Lecture Theatre, Department of Chemistry
Abstract
Coupled Cluster Theory enables the calculation of energies of moderately sized molecules to within chemical accuracy. However its high order polynomial scaling with system size renders standard formulations prohibitively expensive as molecular size increases. Stochastic approaches can mitigate this and can be further improved by applying insights from the standard theories.
Series This talk is part of the Extra Theoretical Chemistry Seminars series.
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Friday 27 November 2015, 12:20-12:40