| Title | Efficient discretization of the continuum through complex contour deformation |
| Publication Type | Journal Article |
| Year of Publication | 2008 |
| Authors | Shenvi, N, Schmidt, JR, Edwards, ST, Tully, JC |
| Journal | Physical Review A |
| Volume | 78 |
| Date Published | Aug |
| Accession Number | ISI:000259263400075 |
| Keywords | charge-transfer, conversion, dynamics, Electron-molecule collisions, excitation, many-body theory, model, Optics, Physics, Atomic, Molecular & Chemical, polynomials, resonance, scattering |
| Abstract | Instances of discrete states coupled to continua are physically ubiquitous. Numerical simulations of such systems often rely on a discrete representation of the continuum by a large but finite set of discrete levels, or "pseudostates." In this paper, we develop a method based on the prior work of Kazansky to derive an efficient discrete representation of an arbitrary continuum. For several test cases, our method allows the simulation of non-Markovian decay dynamics with a far smaller set of pseudostates than previously required. We also discuss how this approach can be viewed as a "complex scaling" of the band energy coordinate. |
| Short Title | Phys. Rev. A |