Efficient total energy calculations from self-energy models

P. Sánchez-Friera, R.W. Godby

Research output: Contribution to journalArticlepeer-review


We propose a new method for calculating total energies of systems of interacting electrons, which requires little more computational resources than standard density-functional theories. The total energy is calculated within the framework of many-body perturbation theory by using an efficient model of the self-energy, that nevertheless retains the main features of the exact operator. The method shows promising performance when tested against quantum Monte Carlo results for the linear response of the homogeneous electron gas and structural properties of bulk silicon.
Original languageEnglish
Pages (from-to)5611-5614
Number of pages3
JournalPhysical Review Letters
Publication statusPublished - 2000

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© 2000 American Physical Society. Published in Physical Review Letters and uploaded in accordance with the publisher's self archiving policy.

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