Projection method for rapid ab initio calculations of metals

Abstract

An improvement of the Energy Renormalization Group method is proposed for systems with small gap, based on the projection methods developed by H. Feshbach. It is tested for the ground state energy of the one-dimensional tight-binding model.

6 pg., 2 figs

References in corpus (3)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Model Hessian for accelerating first-principles structure optimizations

Cited by in corpus (2)

• O(N) methods in electronic structure calculations
• Low complexity method for large-scale self-consistent ab initio electronic-structure calculations without localization