12,000

We have over 12,000 students, from over 100 countries, within one of the safest campuses in the UK

93%

93% of Lancaster students go into work or further study within six months of graduating

Home > Research > Publications & Outputs > Inhomogeneous backflow transformations in quant...
View graph of relations

« Back

Inhomogeneous backflow transformations in quantum Monte Carlo calculations

Research output: Contribution to journalJournal article

Published

Article number066701
Journal publication date18/12/2006
JournalPhysical Review E
Journal number6
Volume74
Number of pages0
Original languageEnglish

Abstract

An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion quantum Monte Carlo (VMC and DMC) energies for various systems and study the computational cost of using backflow wave functions. We find that inhomogeneous backflow transformations can provide a substantial increase in the amount of correlation energy retrieved within VMC and DMC calculations. The backflow transformations significantly improve the wave functions and their nodal surfaces.

Bibliographic note

© 2006 The American Physical Society