A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO

Bill Poirier; Tucker Carrington

doi:10.1063/1.1428752

A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO

Bill Poirier, Tucker Carrington

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

72 Scopus citations

Abstract

A complex-symmetric version of the preconditioned inexact spectral transform (PIS) method, suitable for direct resonance calculations, is presented. Used in conjunction with the phase space optimized discrete variable representation (PSO DVR) basis and a semiclassically optimized complex absorbing potential, it enables to calculate HCO resonances with unprecedented accuracy and efficiency.

Original language	English
Pages (from-to)	1215-1227
Number of pages	13
Journal	Journal of Chemical Physics
Volume	116
Issue number	4
DOIs	https://doi.org/10.1063/1.1428752
State	Published - Jan 22 2002

Access to Document

10.1063/1.1428752

Cite this

@article{1365a83d17854a2e83fcf8768a1692b9,

title = "A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO",

abstract = "A complex-symmetric version of the preconditioned inexact spectral transform (PIS) method, suitable for direct resonance calculations, is presented. Used in conjunction with the phase space optimized discrete variable representation (PSO DVR) basis and a semiclassically optimized complex absorbing potential, it enables to calculate HCO resonances with unprecedented accuracy and efficiency.",

author = "Bill Poirier and Tucker Carrington",

year = "2002",

month = jan,

day = "22",

doi = "10.1063/1.1428752",

language = "English",

volume = "116",

pages = "1215--1227",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "4",

}

TY - JOUR

T1 - A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO

AU - Poirier, Bill

AU - Carrington, Tucker

PY - 2002/1/22

Y1 - 2002/1/22

N2 - A complex-symmetric version of the preconditioned inexact spectral transform (PIS) method, suitable for direct resonance calculations, is presented. Used in conjunction with the phase space optimized discrete variable representation (PSO DVR) basis and a semiclassically optimized complex absorbing potential, it enables to calculate HCO resonances with unprecedented accuracy and efficiency.

AB - A complex-symmetric version of the preconditioned inexact spectral transform (PIS) method, suitable for direct resonance calculations, is presented. Used in conjunction with the phase space optimized discrete variable representation (PSO DVR) basis and a semiclassically optimized complex absorbing potential, it enables to calculate HCO resonances with unprecedented accuracy and efficiency.

UR - http://www.scopus.com/inward/record.url?scp=0037154362&partnerID=8YFLogxK

U2 - 10.1063/1.1428752

DO - 10.1063/1.1428752

M3 - Article

AN - SCOPUS:0037154362

SN - 0021-9606

VL - 116

SP - 1215

EP - 1227

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 4

ER -

A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO

Abstract

Access to Document

Other files and links

Fingerprint

Cite this