Journal of Mathematical Chemistry

A numerical basis for the accurate representation of the continuum spectrum of atomic Hamiltonians
pp. 191-199(9)
Author: Nikolopoulos, L.A.A.

Preface for the special issue on the international conference of computational methods in sciences and engineering 2003 (ICCMSE 2003)
pp. 201-201(1)
Author: Simos, T.E.

A finite element approach for the continuum spectrum of the Dirac radial equation
pp. 203-210(8)
Author: Nikolopoulos, L.A.A.

Electron correlation studies by means of local-scaling transformations and electron-pair density functions
pp. 211-231(21)
Authors: Valderrama, Elmer; Ugalde, Jesus

Molecular conformation search by distance matrix perturbations
pp. 233-253(21)
Authors: Emiris, Ioannis; Nikitopoulos, Theodoros

A variable-step Numerov method for the numerical solution of the Schrödinger equation
pp. 255-262(8)
Authors: Vigo-Aguiar, Jesús; Ramos, Higinio

Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation
pp. 263-270(8)
Authors: Monovasilis, Th.; Kalogiratou, Z.; Simos, T.E.

Numerical solution of the two-dimensional time independent Schrödinger equation with Numerov-type methods
pp. 271-279(9)
Authors: Kalogiratou, Z.; Monovasilis, Th.; Simos, T.E.

Trigonometrically fitted Runge–Kutta methods for the numerical solution of the Schrödinger equation
pp. 281-293(13)
Authors: Anastassi, Z.A.; Simos, T.E.

Sixth algebraic order trigonometrically fitted predictor–corrector methods for the numerical solution of the radial Schrödinger equation
pp. 295-316(22)
Authors: Psihoyios, G.; Simos, T.E.

A family of multiderivative methods for the numerical solution of the Schrödinger equation
pp. 317-332(16)
Authors: Sakas, D.P.; Simos, T.E.