Publication

A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems

Oleg Yazyev
2004
Journal paper

Abstract

A finite-temp. linear tetrahedron method for electronic structure calcns. of periodic systems is developed. When compared to widely used simple temp. broadening, the no. of k points necessary for accurate integration at finite temps. is reduced. The utility of the method is demonstrated with benchmark calcns. on 1D, 2D, and 3D systems.

Official source

https://infoscience.epfl.ch/record/90747?ln=en

About this result

This page is automatically generated and may contain information that is not correct, complete, up-to-date, or relevant to your search query. The same applies to every other page on this website. Please make sure to verify the information with EPFL's official sources.

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems

Graph Chatbot

Chat with Graph Search

SIMPLE HIERARCHICAL PLANNING WITH DIFFUSION

Micropreparative Gel Electrophoresis for Purification of Nanoscale Bioconjugates

Efficient and Accurate Handling of Periodic Flows in Time-Sensitive Networks

Efficient and Accurate Handling of Periodic Flows in Time-Sensitive Networks

SIMPLE HIERARCHICAL PLANNING WITH DIFFUSION

Micropreparative Gel Electrophoresis for Purification of Nanoscale Bioconjugates