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Breaking the curse of dimension for the electronic...
Journal article

Breaking the curse of dimension for the electronic Schrödinger equation with functional analysis

Abstract

Most approaches for solving the electronic Schrödinger equation do not fully exploit the functional-analytic simplicity of the electronic wavefunction. Because of this, the cost of these methods explodes exponentially with increasing electron number, an effect that is often called the curse of dimension. Recent work in mathematics and computer science shows how, by exploiting the smoothness of molecular wavefunctions, one can design methods …

Authors

Anderson JSM; Heidar-Zadeh F; Ayers PW

Journal

Computational and Theoretical Chemistry, Vol. 1142, , pp. 66–77

Publisher

Elsevier

Publication Date

10 2018

DOI

10.1016/j.comptc.2018.08.017

ISSN

2210-271X