Developments in the density-functional theory of electronic structure

被引：15

作者：

Nieminen, RM ^{[1
]}

机构：

[1] Aalto Univ, Phys Lab, Espoo 02015, Finland

来源：

CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE | 1999年 / 4卷 / 06期

关键词：

D O I：

10.1016/S1359-0286(99)00050-9

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density-functional theory has provided a robust and practical framework for microscopic calculations of electronic structure and atomic bonding in condensed matter. On the microscopic level, it is being extended to situations such as nonconventional bonds, dielectrics, time-dependent phenomena, excitations, and novel magnetic systems. It is also being incorporated into multiscale modelling by coupling it to coarse-grained and continuum simulations of materials. (C) 2000 Elsevier Science Ltd. All rights reserved.

引用

页码：493 / 498

页数：6

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