Computation of rovibronic resonances of molecular hydrogen: EF ς g+ 1 inner-well rotational states

Dávid Ferenc, E. Mat́yus

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Selected states of the EFςg+1 electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis representation for the variational treatment is achieved through an energy-tracking optimization procedure. The resulting nonrelativistic energy is converged within a few nano-Hartree, while the predissociative width is found to be negligible at this level of accuracy. The four-particle nonrelativistic energies are appended with relativistic and quantum electrodynamics corrections which close the gap between the experimental observations and earlier theoretical work.

Original languageEnglish
Article number020501
JournalPhysical Review A
Volume100
Issue number2
DOIs
Publication statusPublished - Aug 26 2019

Fingerprint

rotational states
hydrogen
four body problem
quantum electrodynamics
electrodynamics
energy
optimization
electronics
molecules

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Computation of rovibronic resonances of molecular hydrogen : EF ς g+ 1 inner-well rotational states. / Ferenc, Dávid; Mat́yus, E.

In: Physical Review A, Vol. 100, No. 2, 020501, 26.08.2019.

Research output: Contribution to journalArticle

@article{2769d5a0924444729d7c16bd5f1edb3e,
title = "Computation of rovibronic resonances of molecular hydrogen: EF ς g+ 1 inner-well rotational states",
abstract = "Selected states of the EFςg+1 electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis representation for the variational treatment is achieved through an energy-tracking optimization procedure. The resulting nonrelativistic energy is converged within a few nano-Hartree, while the predissociative width is found to be negligible at this level of accuracy. The four-particle nonrelativistic energies are appended with relativistic and quantum electrodynamics corrections which close the gap between the experimental observations and earlier theoretical work.",
author = "D{\'a}vid Ferenc and E. Mat́yus",
year = "2019",
month = "8",
day = "26",
doi = "10.1103/PhysRevA.100.020501",
language = "English",
volume = "100",
journal = "Physical Review A",
issn = "2469-9926",
publisher = "American Physical Society",
number = "2",

}

TY - JOUR

T1 - Computation of rovibronic resonances of molecular hydrogen

T2 - EF ς g+ 1 inner-well rotational states

AU - Ferenc, Dávid

AU - Mat́yus, E.

PY - 2019/8/26

Y1 - 2019/8/26

N2 - Selected states of the EFςg+1 electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis representation for the variational treatment is achieved through an energy-tracking optimization procedure. The resulting nonrelativistic energy is converged within a few nano-Hartree, while the predissociative width is found to be negligible at this level of accuracy. The four-particle nonrelativistic energies are appended with relativistic and quantum electrodynamics corrections which close the gap between the experimental observations and earlier theoretical work.

AB - Selected states of the EFςg+1 electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis representation for the variational treatment is achieved through an energy-tracking optimization procedure. The resulting nonrelativistic energy is converged within a few nano-Hartree, while the predissociative width is found to be negligible at this level of accuracy. The four-particle nonrelativistic energies are appended with relativistic and quantum electrodynamics corrections which close the gap between the experimental observations and earlier theoretical work.

UR - http://www.scopus.com/inward/record.url?scp=85072013112&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85072013112&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.100.020501

DO - 10.1103/PhysRevA.100.020501

M3 - Article

AN - SCOPUS:85072013112

VL - 100

JO - Physical Review A

JF - Physical Review A

SN - 2469-9926

IS - 2

M1 - 020501

ER -