-
2
-
-
0003250244
-
New methods in computational quantum mechanics
-
Wiley, New York
-
I. Prigogine and S. Rice, eds., New Methods in Computational Quantum Mechanics, Advances in Chemical Physics, Vol. 93 (Wiley, New York, 1997).
-
(1997)
Advances in Chemical Physics
, vol.93
-
-
Prigogine, I.1
Rice, S.2
-
3
-
-
0002586288
-
Explicit two-step methods with minimal phase-lag for the numerical integration of special second order initial value problems and their application to the one-dimensional Schrödinger equation
-
T.E. Simos, Explicit two-step methods with minimal phase-lag for the numerical integration of special second order initial value problems and their application to the one-dimensional Schrödinger equation, J. Comput. Appl. Math. 39 (1992) 89-94.
-
(1992)
J. Comput. Appl. Math.
, vol.39
, pp. 89-94
-
-
Simos, T.E.1
-
4
-
-
77958409581
-
Symmetric multistep methods for periodic initial value problems
-
J.D. Lambert and I.A. Watson, Symmetric multistep methods for periodic initial value problems, J. Inst. Math. Appl. 18 (1976) 189-202.
-
(1976)
J. Inst. Math. Appl.
, vol.18
, pp. 189-202
-
-
Lambert, J.D.1
Watson, I.A.2
-
5
-
-
0019010803
-
A one-step method for direct integration of structural dynamic equations
-
L. Bruca and L. Nigro, A one-step method for direct integration of structural dynamic equations, Internat. J. Numer. Methods Engrg. 15 (1980) 685-699.
-
(1980)
Internat. J. Numer. Methods Engrg.
, vol.15
, pp. 685-699
-
-
Bruca, L.1
Nigro, L.2
-
6
-
-
0021578695
-
A numerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems
-
M.M. Chawla and P.S. Rao, A Numerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems, J. Comput. Appl. Math. 11 (1984) 277-281.
-
(1984)
J. Comput. Appl. Math.
, vol.11
, pp. 277-281
-
-
Chawla, M.M.1
Rao, P.S.2
-
7
-
-
0022752603
-
Numerov-type method with minimal phase-lag for the integration of second order periodic initial-value problem. II. Explicit method
-
M.M. Chawla and P.S. Rao, Numerov-type method with minimal phase-lag for the integration of second order periodic initial-value problem. II. Explicit method, J. Comput. Appl. Math. 15 (1986) 329-337.
-
(1986)
J. Comput. Appl. Math.
, vol.15
, pp. 329-337
-
-
Chawla, M.M.1
Rao, P.S.2
-
8
-
-
0022789944
-
Two-step fourth-order P-stable methods with phase-lag of order six for y″ = f (t, y)
-
M.M. Chawla, P.S. Rao and B. Neta, Two-step fourth-order P-stable methods with phase-lag of order six for y″ = f (t, y), J. Comput. Appl. Math. 16 (1986) 233-236.
-
(1986)
J. Comput. Appl. Math.
, vol.16
, pp. 233-236
-
-
Chawla, M.M.1
Rao, P.S.2
Neta, B.3
-
9
-
-
0023315288
-
An explicit sixth-order method with phase-lag of order eight for y″ = f (t, y)
-
M.M. Chawla and P.S. Rao, An explicit sixth-order method with phase-lag of order eight for y″ = f (t, y), J. Comput. Appl. Math. 16 (1987) 365-368.
-
(1987)
J. Comput. Appl. Math.
, vol.16
, pp. 365-368
-
-
Chawla, M.M.1
Rao, P.S.2
-
10
-
-
0001330331
-
Numerical methods for y″ = f (x, y) via rational approximation for the cosine
-
J.P. Coleman, Numerical methods for y″ = f (x, y) via rational approximation for the cosine, IMA J. Numer. Anal. 9 (1989) 145-165.
-
(1989)
IMA J. Numer. Anal.
, vol.9
, pp. 145-165
-
-
Coleman, J.P.1
-
11
-
-
0025596658
-
Numerov-type methods with minimal phase-lag for the numerical integration of the one-dimensional Schrödinger equation
-
T.E. Simos and A.D. Raptis, Numerov-type methods with minimal phase-lag for the numerical integration of the one-dimensional Schrödinger equation, Computing 45 (1990) 175-181.
-
(1990)
Computing
, vol.45
, pp. 175-181
-
-
Simos, T.E.1
Raptis, A.D.2
-
12
-
-
0001591709
-
New variable-step procedure for the numerical integration of the one-dimensional Schrödinger equation
-
T.E. Simos, New variable-step procedure for the numerical integration of the one-dimensional Schrödinger equation, J. Comput. Phys. 108 (1993) 175-179.
-
(1993)
J. Comput. Phys.
, vol.108
, pp. 175-179
-
-
Simos, T.E.1
-
13
-
-
0002763998
-
Block Runge-Kutta methods for periodic initial-value problems
-
G. Avdelas and T.E. Simos, Block Runge-Kutta methods for periodic initial-value problems, Comput. Math. Appl. 31 (1996) 69-83.
-
(1996)
Comput. Math. Appl.
, vol.31
, pp. 69-83
-
-
Avdelas, G.1
Simos, T.E.2
-
14
-
-
0002207932
-
Embedded methods for the numerical solution of the Schrödinger equation
-
G. Avdelas and T.E. Simos, Embedded methods for the numerical solution of the Schrödinger equation, Comput. Math. Appl. 31 (1996) 85-102.
-
(1996)
Comput. Math. Appl.
, vol.31
, pp. 85-102
-
-
Avdelas, G.1
Simos, T.E.2
-
15
-
-
0001190986
-
New embedded explicit methods with minimal phase-lag for the numerical integration of the Schrödinger equation
-
T.E. Simos, New embedded explicit methods with minimal phase-lag for the numerical integration of the Schrödinger equation, Comput. Chem. 22 (1998) 433-440.
-
(1998)
Comput. Chem.
, vol.22
, pp. 433-440
-
-
Simos, T.E.1
-
17
-
-
0021316047
-
Phase properties of high order, almost P-stable formulae
-
R.M. Thomas, Phase properties of high order, almost P-stable formulae, BIT 24 (1984) 225-238.
-
(1984)
BIT
, vol.24
, pp. 225-238
-
-
Thomas, R.M.1
-
18
-
-
0001424633
-
A numerov type method for computing eigenvalues and resonances of the radial Schrödinger equation
-
T.E. Simos and G. Tougelidis, A Numerov type method for computing eigenvalues and resonances of the radial Schrödinger equation, Comput. Chem. 20 (1996) 397-401.
-
(1996)
Comput. Chem.
, vol.20
, pp. 397-401
-
-
Simos, T.E.1
Tougelidis, G.2
-
19
-
-
0035539374
-
A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. Part 1. Development of the generator
-
to appear
-
G. Avdelas, A. Konguetsof and T.E. Simos, A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. Part 1. Development of the generator, J. Math Chem. (2001) to appear.
-
(2001)
J. Math Chem.
-
-
Avdelas, G.1
Konguetsof, A.2
Simos, T.E.3
-
20
-
-
0023366337
-
Explicit Runge-Kutta(-Nyström) method with reduced phase errors for computing oscillating solutions
-
P.J. van der Houwen and B.P. Sommeijer, Explicit Runge-Kutta(-Nyström) method with reduced phase errors for computing oscillating solutions, SIAM J. Numer. Anal. 24 (1987) 595-617.
-
(1987)
SIAM J. Numer. Anal.
, vol.24
, pp. 595-617
-
-
Van Der Houwen, P.J.1
Sommeijer, B.P.2
-
22
-
-
0003589989
-
-
Springer, Berlin
-
E. Hairer, S.P. Norset and G. Wanner, Solving Ordinary Differential Equations I. Nonstiff Problems, 2nd edn. (Springer, Berlin, 1993).
-
(1993)
Solving Ordinary Differential Equations I. Nonstiff Problems, 2nd Edn.
-
-
Hairer, E.1
Norset, S.P.2
Wanner, G.3
-
23
-
-
0001401038
-
The numerical solution of coupled differential equations arising from the Schrödinger equation
-
A.C. Allison, The numerical solution of coupled differential equations arising from the Schrödinger equation, J. Comput. Phys. 6 (1970) 378-391.
-
(1970)
J. Comput. Phys.
, vol.6
, pp. 378-391
-
-
Allison, A.C.1
-
24
-
-
0001107120
-
Thermal scattering of atoms by homonuclear diatomic molecules
-
R.B. Berstein, A. Dalgarno, H. Massey and I.C. Percival, Thermal scattering of atoms by homonuclear diatomic molecules, Proc. Roy. Soc. London Ser. A 274 (1963) 427-442.
-
(1963)
Proc. Roy. Soc. London Ser. A
, vol.274
, pp. 427-442
-
-
Berstein, R.B.1
Dalgarno, A.2
Massey, H.3
Percival, I.C.4
-
25
-
-
0000633647
-
Quantum mechanical (phase shift) analysis of differential elastic scattering of molecular beams
-
R.B. Berstein, Quantum mechanical (phase shift) analysis of differential elastic scattering of molecular beams, J. Chem. Phys. 33 (1960) 795-804.
-
(1960)
J. Chem. Phys.
, vol.33
, pp. 795-804
-
-
Berstein, R.B.1
-
26
-
-
0001752844
-
A variable step method for the numerical integration of the one-dimensional Schrödinger equation
-
A.D. Raptis and J.R. Cash, A variable step method for the numerical integration of the one-dimensional Schrödinger equation, Comput. Phys. Comm. 36 (1985) 113-119.
-
(1985)
Comput. Phys. Comm.
, vol.36
, pp. 113-119
-
-
Raptis, A.D.1
Cash, J.R.2
-
27
-
-
0033148222
-
Explicit eighth order methods for the numerical integration of initial-value problems with periodic or oscillating solutions
-
T.E. Simos, Explicit eighth order methods for the numerical integration of initial-value problems with periodic or oscillating solutions, Comput. Phys. Comm. 119 (1999) 32-44.
-
(1999)
Comput. Phys. Comm.
, vol.119
, pp. 32-44
-
-
Simos, T.E.1
-
28
-
-
0345831862
-
High algebraic order methods with minimal phase-lag for accurate solution of the Schrödinger equation
-
T.E. Simos, High algebraic order methods with minimal phase-lag for accurate solution of the Schrödinger equation, Internat. J. Modern Phys. C 9 (1998) 1055-1071.
-
(1998)
Internat. J. Modern Phys. C
, vol.9
, pp. 1055-1071
-
-
Simos, T.E.1
-
29
-
-
85017279892
-
A generator of hybrid explicit methods for the numerical solution of the Schrödinger equation and related problems
-
to appear
-
G. Avdelas, A. Konguetsof and T.E. Simos, A generator of hybrid explicit methods for the numerical solution of the Schrödinger equation and related problems, Comput. Phys. Comm. (2000) to appear.
-
(2000)
Comput. Phys. Comm.
-
-
Avdelas, G.1
Konguetsof, A.2
Simos, T.E.3
|