Paul Kent Publications One publication

Quantum Monte Carlo calculations for ground and excited states

R. J. Needs, P. R. C. Kent, A. R. Porter, M. D. Towler, and G. Rajagopal

International Journal of Quantum Chemistry 86 218 (2001)

A brief overview of the diffusion quantum Monte Carlo method is given. We illustrate the application to ground-state calculations by a study of the relative stability of carbon clusters near the crossover to fullerene stability, thereby determining the smallest stable fullerene. The application to excited states is illustrated via a study of excitonic states in small hydrogenated silicon clusters.

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Comments, questions? Contact Paul Kent. Last updated Wednesday 28 January 2004.