-
1
-
-
0000073569
-
A self-adaptive multilevel finite element method for the stationary Schrödinger equation in three space dimensions
-
J. Ackermann, B. Erdmann and R. Roitzsch, A self-adaptive multilevel finite element method for the stationary Schrödinger equation in three space dimensions, J. Chem. Phys., 101 (1994), 7643-7650.
-
(1994)
J. Chem. Phys
, vol.101
, pp. 7643-7650
-
-
Ackermann, J.1
Erdmann, B.2
Roitzsch, R.3
-
2
-
-
0003796630
-
-
Academic Press, New York
-
R.A. Adams, Sobolev Spaces, Academic Press, New York, 1975.
-
(1975)
Sobolev Spaces
-
-
Adams, R.A.1
-
3
-
-
0035075413
-
Locally adapted tetrahedral meshes using bisection
-
D.N. Arnold, A. Mukherjee and L. Pouly, Locally adapted tetrahedral meshes using bisection, SIAM J. Sci. Comput., 22 (2000), 431-448.
-
(2000)
SIAM J. Sci. Comput
, vol.22
, pp. 431-448
-
-
Arnold, D.N.1
Mukherjee, A.2
Pouly, L.3
-
4
-
-
84966243578
-
Finite element-Calerkin approximation of the eigenvalues and eigenvectors of selfadjoint problems
-
I Babuska and J.E. Osborn, Finite element-Calerkin approximation of the eigenvalues and eigenvectors of selfadjoint problems, Math. Comp., 52 (1989), 275-297.
-
(1989)
Math. Comp
, vol.52
, pp. 275-297
-
-
Babuska, I.1
Osborn, J.E.2
-
5
-
-
54249116319
-
Eigenvalue problems, Handbook of Numerical Analysis
-
Ciarlet and J.L. Lions, eds, Elsevier
-
I. Babuska and J.E. Osborn, Eigenvalue problems, Handbook of Numerical Analysis, Vol. II, Finite Element Methods (Part 1) (PG. Ciarlet and J.L. Lions, eds.), Elsevier, 1991, 644-792.
-
(1991)
Finite Element Methods (Part 1)
, vol.2
, pp. 644-792
-
-
Babuska, I.1
Osborn, J.E.2
-
6
-
-
3743048569
-
Pseudopotentials that work: From H to Pu
-
G.B. Bechelet, D.R. Hamann and M. Schlüter, Pseudopotentials that work: From H to Pu, Phys. Rev. B, 26 (1982), 4199-4228.
-
(1982)
Phys. Rev. B
, vol.26
, pp. 4199-4228
-
-
Bechelet, G.B.1
Hamann, D.R.2
Schlüter, M.3
-
7
-
-
0034336263
-
Real-space mesh techniques in density-function theory
-
T.L. Beck, Real-space mesh techniques in density-function theory, Rev. Modern Phys., 72 (2000), 1041-1080.
-
(2000)
Rev. Modern Phys
, vol.72
, pp. 1041-1080
-
-
Beck, T.L.1
-
11
-
-
46249086899
-
Three-scale finite element discretizations for quantum eigenvalue problems
-
to appear
-
X. Dai and A. Zhou, Three-scale finite element discretizations for quantum eigenvalue problems, SIAM J. Numer. Anal., to appear, 2007.
-
(2007)
SIAM J. Numer. Anal
-
-
Dai, X.1
Zhou, A.2
-
12
-
-
46249108098
-
Quantum Mechanics
-
Springer-Verlag, Berlin
-
W. Greiner, Quantum Mechanics. An Introduction, Springer-Verlag, Berlin, 1989.
-
(1989)
An Introduction
-
-
Greiner, W.1
-
15
-
-
0042113153
-
-
W. Kohn 4nd L.J. Sham, Self-consistent equations including exchange and correlation effects, Phys.Rev.A, 140 (1965), 4743-4754.
-
W. Kohn 4nd L.J. Sham, Self-consistent equations including exchange and correlation effects, Phys.Rev.A, 140 (1965), 4743-4754.
-
-
-
-
16
-
-
46249134139
-
Handbook of Numerical Aneysis
-
C. Le Brised, North-Holland
-
C. Le Bris(ed.), Handbook of Numerical Aneysis, Vol. X. Special issue: Computational Chemistry, North-Holland, 2003.
-
(2003)
Special issue: Computational Chemistry
, vol.10
-
-
-
17
-
-
19844366465
-
Computational chemistry from the perspective of numerical analysis
-
C. Le Bris, Computational chemistry from the perspective of numerical analysis, Acta Numerica, 14 (2005), 363-444.
-
(2005)
Acta Numerica
, vol.14
, pp. 363-444
-
-
Le Bris, C.1
-
18
-
-
0039552414
-
Some problems concerning approximate solutiong of operator equations
-
in Chinese
-
Q. Lin, Some problems concerning approximate solutiong of operator equations, Acta Math. Sinica, 22 (1979), 219-230(in Chinese).
-
(1979)
Acta Math. Sinica
, vol.22
, pp. 219-230
-
-
Lin, Q.1
-
19
-
-
70349515577
-
Accelerating the finite element method in eigenvalue problems
-
in Chinese
-
Q. Lin and G. Xie, Accelerating the finite element method in eigenvalue problems, Kexue Tongbao, 26 (1981), 449-452(in Chinese).
-
(1981)
Kexue Tongbao
, vol.26
, pp. 449-452
-
-
Lin, Q.1
Xie, G.2
-
20
-
-
33745677277
-
Adaptive Finite Algorithms for Eigenvalue Problems Based on Local Averaging Type a Posteriori Error Estimates
-
D. Mao, L. Shen and A. Zhou, Adaptive Finite Algorithms for Eigenvalue Problems Based on Local Averaging Type a Posteriori Error Estimates, Adv. Comp. Math., 25 (2006), 135-160.
-
(2006)
Adv. Comp. Math
, vol.25
, pp. 135-160
-
-
Mao, D.1
Shen, L.2
Zhou, A.3
-
21
-
-
46249086623
-
Density-Functional theory of atoms and molecules, Oxford University press, New York, Clarendon Press, Oxford
-
R.G. Parr and W.T. Yang, Density-Functional theory of atoms and molecules, Oxford University press, New York, Clarendon Press, Oxford, 1994.
-
(1994)
-
-
Parr, R.G.1
Yang, W.T.2
-
22
-
-
24144475862
-
Finite element methods in ab inition electronic structure calculations
-
J.E. Pask and P.A. Sterne, Finite element methods in ab inition electronic structure calculations, Modelling. Sumul. Mater. Sci. Eng., 13 (2005),, R71-R96.
-
(2005)
Modelling. Sumul. Mater. Sci. Eng
, vol.13
-
-
Pask, J.E.1
Sterne, P.A.2
-
23
-
-
33646638059
-
Pseudopotential methods in condensed metter applications
-
W.E. Pickett, Pseudopotential methods in condensed metter applications, Computer Physics Reports, 9 (1989), 115-198.
-
(1989)
Computer Physics Reports
, vol.9
, pp. 115-198
-
-
Pickett, W.E.1
-
24
-
-
84966241381
-
Interior maximum-norm estimates for finite element methods
-
A.H. Schatz and L.B. Wahlbin, Interior maximum-norm estimates for finite element methods, Math. Comp., 31 (1977), 414-442.
-
(1977)
Math. Comp
, vol.31
, pp. 414-442
-
-
Schatz, A.H.1
Wahlbin, L.B.2
-
25
-
-
84968481060
-
Interior maximum-norm estimates for finite element methods, Part II
-
A.H. Schatz and L.B. Wahlbin, Interior maximum-norm estimates for finite element methods, Part II, Math. Comp., 64 (1995), 907-928.
-
(1995)
Math. Comp
, vol.64
, pp. 907-928
-
-
Schatz, A.H.1
Wahlbin, L.B.2
-
26
-
-
33846495337
-
A defect correction scheme for finite element eigenvalues with applications to quantum chemistry
-
L. Shen and A. Zhou, A defect correction scheme for finite element eigenvalues with applications to quantum chemistry, SIAM J. Sci. Comput., 28 (2006), 321-338.
-
(2006)
SIAM J. Sci. Comput
, vol.28
, pp. 321-338
-
-
Shen, L.1
Zhou, A.2
-
28
-
-
0004833879
-
Broyden's method for self-consistent field convergence acceleration
-
G.P. Srivastava, Broyden's method for self-consistent field convergence acceleration, J. Phys. A: Math. Gen., 17 (1984), 317-321.
-
(1984)
J. Phys. A: Math. Gen
, vol.17
, pp. 317-321
-
-
Srivastava, G.P.1
-
29
-
-
33646148469
-
Three real-space discretization techniques in electronic structure calculations
-
T. Torsti, et al, Three real-space discretization techniques in electronic structure calculations, Phys. Stat. Sol., B243 (2006), 1016-1053.
-
(2006)
Phys. Stat. Sol
, vol.B243
, pp. 1016-1053
-
-
Torsti, T.1
-
30
-
-
4544272993
-
Electronic-structure calculations based on the finite-element method
-
E. Tsuchida, Electronic-structure calculations based on the finite-element method; J. Chem. Phys., 121 (2004), 4740-4746.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 4740-4746
-
-
Tsuchida, E.1
-
31
-
-
33748870671
-
Electronic-structure calculations based on the finite-element method
-
E. Tsuchida and M. Tesukada, Electronic-structure calculations based on the finite-element method, Phys. Rev. B, 52 (1995), 5573-5578.
-
(1995)
Phys. Rev. B
, vol.52
, pp. 5573-5578
-
-
Tsuchida, E.1
Tesukada, M.2
-
32
-
-
0000309751
-
Large-scale electronic-structure calculations based on the adaptive finite element methods
-
E. Tsuchida and M. Tesukada, Large-scale electronic-structure calculations based on the adaptive finite element methods, J. Phy. Soc. Jpn., 67 (1998), 3844-3858.
-
(1998)
J. Phy. Soc. Jpn
, vol.67
, pp. 3844-3858
-
-
Tsuchida, E.1
Tesukada, M.2
-
33
-
-
70350504045
-
-
L.B. Wahlbin, Local behavior in finite element methods, in: Handbook of Numerical Analysis, 11, Finite Element Methods (Part 1) (P.G. Ciarlet and J.L. Lions, eds.), 1991, 355-522.
-
L.B. Wahlbin, Local behavior in finite element methods, in: Handbook of Numerical Analysis, Vol. 11, Finite Element Methods (Part 1) (P.G. Ciarlet and J.L. Lions, eds.), 1991, 355-522.
-
-
-
-
34
-
-
0000674491
-
Finite-element method for electronic structure
-
S.R. White, J.W. Wilkins and M.P. Teter, Finite-element method for electronic structure, Phys. Rev. B, 39 (1989), 5819-5833.
-
(1989)
Phys. Rev. B
, vol.39
, pp. 5819-5833
-
-
White, S.R.1
Wilkins, J.W.2
Teter, M.P.3
-
35
-
-
0040735802
-
Local and parallel finite element algorithms based on two-grid discretizations
-
J. Xu and A. Zhou, Local and parallel finite element algorithms based on two-grid discretizations, Math. Comp., 69 (2000), 881-909.
-
(2000)
Math. Comp
, vol.69
, pp. 881-909
-
-
Xu, J.1
Zhou, A.2
-
36
-
-
0035586888
-
A two-grid discretization scheme for eigenvalue problems
-
J. Xu and A. Zbou, A two-grid discretization scheme for eigenvalue problems, Math. Comp., 70 (2001), 17-25.
-
(2001)
Math. Comp
, vol.70
, pp. 17-25
-
-
Xu, J.1
Zbou, A.2
-
37
-
-
0035601365
-
Local and parallel finite element algorithms based on two-grid discretizations for nonlinear problems
-
J. Xu and A. Zhou, Local and parallel finite element algorithms based on two-grid discretizations for nonlinear problems, Adv. Comp. Math., 14 (2001), 293-327.
-
(2001)
Adv. Comp. Math
, vol.14
, pp. 293-327
-
-
Xu, J.1
Zhou, A.2
-
38
-
-
16244369178
-
-
J. Xu and A. Zhou, Local and parallel element algorithms for eigenvalue problems, Acta Mathematicae Applicates Sinica, English Seris, 18 (2002), 185-200.
-
(2002)
Local and parallel element algorithms for eigenvalue problems, Acta Mathematicae Applicates Sinica, English Seris
, vol.18
, pp. 185-200
-
-
Xu, J.1
Zhou, A.2
-
39
-
-
0035843802
-
Gradient recovery type a posteriori error estimates for finite element approximations on irregulax msshes
-
N. Yan and A. Zhou, Gradient recovery type a posteriori error estimates for finite element approximations on irregulax msshes, Comput. Methods Appl. Mech. Engrg., 190 (2001), 4289-4299.
-
(2001)
Comput. Methods Appl. Mech. Engrg
, vol.190
, pp. 4289-4299
-
-
Yan, N.1
Zhou, A.2
-
40
-
-
0026866050
-
The superconvergence patch recovery and a posteriori error estimates
-
O.C. Zienkiewicz and J.Z. Zhu, The superconvergence patch recovery and a posteriori error estimates, Int. J. Numer. Methods Engry., 33 (1992), 1331-1382.
-
(1992)
Int. J. Numer. Methods Engry
, vol.33
, pp. 1331-1382
-
-
Zienkiewicz, O.C.1
Zhu, J.Z.2
|