Generalized pseudospectral methods with mappings for bound and resonance state problems

Journal Article · Sat May 01 00:00:00 EDT 1993 · Bulletin of the American Physical Society

OSTI ID:281393

Wang, J; Yao, G; Chu, S I

Several extensions of the pseudospectral method are made and applied to the solution of bound and resonance state problems. First, an algebraic mapping is introduced to remove the singularity and the domain truncation error common to Coulomb problems. In addition, the conventional procedure is modified, leading to a more desirable symmetric eigenvalue problem instead of an unsymmetric or generalized one. The simplicity, efficiency, and accuracy of the procedures are illustrated by solving the Dirac equation eigenvalue problem. Finally a new complex-scaling pseudospectral method is introduced for resonance state problems and applied to the determination of complex energies of H{sub 3}{sup +} resonances.

• OSTI ID: 281393
• Report Number(s): CONF-9305421-; ISSN 0003-0503; TRN: 96:019318
• Journal Information: Bulletin of the American Physical Society, Vol. 38, Issue 3; Conference: 1993 American Physical Society annual meeting on atomic, molecular, and topical physics, Reno, NV (United States), 16-19 May 1993; Other Information: PBD: May 1993
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
BOUND STATE
CALCULATION METHODS
HYDROGEN IONS
DIRAC EQUATION
EIGENVALUES
MOLECULES