设为首页
收藏本站
网站地图
|
English
|
公务邮箱
About the library
Background
History
Leadership
Organization
Readers' Guide
Opening Hours
Collections
Help Via Email
Publications
Electronic Information Resources
常用资源
电子图书
期刊论文
学位会议
外文资源
特色专题
内部出版物
Elsevier电子期刊(7)
在“
Elsevier电子期刊
”中,
命中:
7
条,耗时:0.0719641 秒
在所有数据库中总计命中:
7
条
1.
SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters
作者:
Swarnava Ghosh
;
Phanish
Suryanarayana
;
phanish
.
suryanarayana
@ce.
gatech
.edu
关键词:
Electronic structure
;
Real-space
;
Finite-differences
;
Electrostatics
;
Atomic forces
;
Parallel computing
刊名:Computer Physics Communications
出版年:2017
2.
Spectral Quadrature method for accurate electronic structure calculations of metals and insulators
作者:
Phanisri P. Pratapa
a
;
Phanish
Suryanarayana
a
;
phanish
.
suryanarayana
@ce.
gatech
.edu"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
John E. Pask
b
关键词:
Density Functional Theory
;
Spectral quadrature
;
Clenshaw&ndash
;
Curtis
;
Linear-scaling
;
Metallic systems
;
Atomic forces
刊名:Computer Physics Communications
出版年:2016
3.
Cyclic density functional theory: A route to the first principles simulation of bending in nanostructures
作者:
Amartya S. Banerjee
a
;
asb@lbl.gov"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
Phanish
Suryanarayana
b
;
phanish
.
suryanarayana
@ce.
gatech
.edu"
class
="auth_mail"
title
="E-mail the
corresponding
author
关键词:
Kohn-Sham density functional theory
;
Cyclic symmetry group
;
Finite-differences
;
Bending deformations
;
Objective structures
刊名:Journal of the Mechanics and Physics of Solids
出版年:2016
4.
Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory
作者:
Swarnava Ghosh
;
Phanish
Suryanarayana
;
phanish
.
suryanarayana
@ce.
gatech
.edu"
class
="auth_mail"
title
="E-mail the
corresponding
author
关键词:
Finite-differences
;
Real-space
;
Fixed-point
;
Anderson mixing
;
Conjugate gradient
;
Electronic structure
刊名:Journal of Computational Physics
出版年:2016
5.
Anderson acceleration of the Jacobi iterative method: An efficient alternative to Krylov methods for large, sparse linear systems
作者:
Phanisri P. Pratapa
a
;
Phanish
Suryanarayana
a
;
phanish
.
suryanarayana
@ce.
gatech
.edu"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
John E. Pask
b
关键词:
Linear systems of equations
;
Fixed-point iteration
;
Jacobi method
;
Anderson extrapolation
;
Nonsymmetric matrix
;
Poisson equation
;
Helmholtz equation
;
Parallel computing
刊名:Journal of Computational Physics
出版年:2016
6.
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations
作者:
Amartya S. Banerjee
a
;
baner041@umn.edu"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
Phanish
Suryanarayana
b
;
phanish
.
suryanarayana
@ce.
gatech
.edu"
class
="auth_mail"
title
="E-mail the
corresponding
author
;
John E. Pask
c
;
pask1@llnl.gov"
class
="auth_mail"
title
="E-mail the
corresponding
author
刊名:Chemical Physics Letters
出版年:2016
7.
Restarted Pulay mixing for efficient and robust acceleration of fixed-point iterations
作者:
Phanisri P. Pratapa
;
Phanish
Suryanarayana
;
phanish
.
suryanarayana
@ce.
gatech
.edu"
class
="auth_mail"
title
="E-mail the
corresponding
author
刊名:Chemical Physics Letters
出版年:2015
1
按检索点细分(7)
作者(6)
按出版年细分(7)
2017年(1)
2016年(5)
2015年(1)
NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via
email
.