ON THE HELLMANN-FEYNMAN AND VIRIAL THEOREMS WITHIN THE DENSITY FUNCTIONAL FORMALISM - APPLICATIONS TO MOLECULES

被引：0

作者：

PAINTER, GS ^{[1
]}

AVERILL, FW ^{[1
]}

机构：

[1] OAK RIDGE NATL LAB,OAK RIDGE,TN 37830

来源：

BULLETIN OF THE AMERICAN PHYSICAL SOCIETY | 1981年 / 26卷 / 03期

关键词：

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：322 / 322

页数：1

共 50 条

[21] Diagrammatic analysis of the Hellmann-Feynman theorem: Numerical applications
Sartor, R
PHYSICAL REVIEW C, 2001, 64 (05): : 543031 - 543037
[22] GENERALIZED HELLMANN-FEYNMAN AND CURVATURE THEOREMS IN CLASSICAL AND QUANTUM-MECHANICS
SILVERMAN, JN
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (05) : 915 - 928
[23] GENERALIZED HELLMANN-FEYNMAN THEOREMS AND HYPERVIRIAL THEOREMS FOR X ALPHA-LIKE METHODS
EPSTEIN, ST
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (08): : 3328 - 3329
[24] IMPLICATIONS OF THE FEYNMAN-HELLMANN AND THE VIRIAL THEOREMS FOR BINARY QUARK SPECTRA
EGGERS, HC
VANDERMERWE, PD
PHYSICS LETTERS B, 1985, 159 (4-6) : 360 - 362
[25] On the consequences of the violation of the Hellmann-Feynman theorem in calculations of electric properties of molecules
Lipinski, J
CHEMICAL PHYSICS LETTERS, 2002, 363 (3-4) : 313 - 318
[26] CALCULATION OF EXCHANGE FORCES BETWEEN MOLECULES BY APPLICATION OF HELLMANN-FEYNMAN THEOREM
VANDERAVOIRD, A
WORMER, PES
MOLECULAR PHYSICS, 1977, 33 (05) : 1367 - 1377
[27] Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets
Pathak, Shivesh
Ema Lopez, Ignacio
Lee, Alex J.
Bricker, William P.
Lopez Fernandez, Rafael
Lehtola, Susi
Rackers, Joshua A.
JOURNAL OF CHEMICAL PHYSICS, 2023, 158 (01):
[28] STATISTICAL THERMODYNAMIC GENERALIZATION OF HELLMANN-FEYNMAN AND QUANTUM-MECHANICAL CURVATURE THEOREMS
GOLDEN, S
CHEMICAL PHYSICS LETTERS, 1975, 31 (01) : 195 - 197
[29] Evaluating Hellmann-Feynman forces within non-local pseudopotentials
Novak, Matyas
Vackar, Jiri
Cimrman, Robert
COMPUTER PHYSICS COMMUNICATIONS, 2020, 250 (250)
[30] HELLMANN-FEYNMAN, VIRIAL, AND SCALING REQUISITES FOR THE EXACT UNIVERSAL DENSITY FUNCTIONALS - SHAPE OF THE CORRELATION POTENTIAL AND DIAMAGNETIC SUSCEPTIBILITY FOR ATOMS
LEVY, M
PERDEW, JP
PHYSICAL REVIEW A, 1985, 32 (04): : 2010 - 2021

← 1 2 3 4 5 →