Large-Scale Normal Coordinate Analysis for Molecular Structures (Q2780540)
From MaRDI portal
scientific article
Language | Label | Description | Also known as |
---|---|---|---|
English | Large-Scale Normal Coordinate Analysis for Molecular Structures |
scientific article |
Statements
Large-Scale Normal Coordinate Analysis for Molecular Structures (English)
0 references
15 April 2002
0 references
normal coordinate analysis
0 references
eigenvalue computation
0 references
preconditioner
0 references
truncated RQ-iteration
0 references
Jacobi-Davidson method
0 references
vibrational analysis
0 references
large-scale molecular systems
0 references
algorithms
0 references
convergence
0 references
numerical examples
0 references