Wavefunction-based electronic-structure calculations for solids

被引：0

作者：

Peter Fulde

机构：

[1] Peter Fulde is at the Max-Planck-Institut für Physik komplexer Systeme,

[2] 01187 Dresden,undefined

[3] Germany,undefined

来源：

Nature Physics | 2016年 / 12卷

关键词：

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Many-electron wavefunctions face the exponential-wall problem at large electron numbers. Formulating wavefunctions with the help of cumulants effectively avoids this problem and provides a valuable starting point for electronic-structure calculations for solids.

引用

页码：106 / 107

页数：1

共 50 条

[1] Wavefunction-based electronic-structure calculations for solids
Fulde, Peter
NATURE PHYSICS, 2016, 12 (02) : 106 - 107
[2] Wavefunction methods in electronic-structure theory of solids
Fulde, P
ADVANCES IN PHYSICS, 2002, 51 (03) : 909 - 948
[3] Wavefunction-based electron correlation methods for solids
Mueller, Carsten
Paulus, Beate
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (21) : 7605 - 7614
[4] Complete Active Space Wavefunction-Based Analysis of Magnetization and Electronic Structure
Gendron, Frederic
Bolvin, Helene
Autschbach, Jochen
ORGANOMETALLIC MAGNETS, 2019, 64 : 355 - 390
[5] CHEMISTS APPROACH TO ELECTRONIC-STRUCTURE CALCULATIONS ON CRYSTALLINE SOLIDS
HARRIS, FE
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1974, : 35 - 35
[6] A robust solver for wavefunction-based density functional theory calculations*
Fattebert, J-L
ELECTRONIC STRUCTURE, 2022, 4 (01):
[7] The method of increments - a wavefunction-based ab initio correlation method for solids
Paulus, B
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2006, 428 (01): : 1 - 52
[8] ELECTRONIC-STRUCTURE OF SOLIDS
COHEN, ML
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1984, 110 (5-6): : 293 - 309
[9] NEW ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS
DURAND, P
BARTHELAT, JC
CHEMICAL PHYSICS LETTERS, 1974, 27 (02) : 191 - 194
[10] The method of increments - A wavefunction-based ab-initio correlation method for solids
Paulus, Beate
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2007, 21 (13-14): : 2204 - 2214

← 1 2 3 4 5 →