Theoretical potential energy curves and spectroscopic properties of the X2Σu + and A2Σg + states of He2 +

Arshad Khan, K. D. Jordan

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2 + and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.

Original languageEnglish (US)
Pages (from-to)368-371
Number of pages4
JournalChemical Physics Letters
Volume128
Issue number4
DOIs
StatePublished - Aug 1 1986

Fingerprint

Potential energy
Ground state
potential energy
curves
self consistent fields
Experiments
ground state
predictions

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

@article{f6aedab46d5245589ab02ff64dc28180,
title = "Theoretical potential energy curves and spectroscopic properties of the X2Σu + and A2Σg + states of He2 +",
abstract = "The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2 + and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.",
author = "Arshad Khan and Jordan, {K. D.}",
year = "1986",
month = "8",
day = "1",
doi = "10.1016/0009-2614(86)80379-7",
language = "English (US)",
volume = "128",
pages = "368--371",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "4",

}

Theoretical potential energy curves and spectroscopic properties of the X2Σu + and A2Σg + states of He2 + . / Khan, Arshad; Jordan, K. D.

In: Chemical Physics Letters, Vol. 128, No. 4, 01.08.1986, p. 368-371.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Theoretical potential energy curves and spectroscopic properties of the X2Σu + and A2Σg + states of He2 +

AU - Khan, Arshad

AU - Jordan, K. D.

PY - 1986/8/1

Y1 - 1986/8/1

N2 - The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2 + and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.

AB - The MC SCF procedure is utilized to determine the potential energy curves of the first two states of He2 + and to determine the spectroscopic constants of the ground state. The resulting spectroscopic constants are in significantly better agreement with experiment than are the predictions of prior theoretical studies.

UR - http://www.scopus.com/inward/record.url?scp=24544461711&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=24544461711&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(86)80379-7

DO - 10.1016/0009-2614(86)80379-7

M3 - Article

AN - SCOPUS:24544461711

VL - 128

SP - 368

EP - 371

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 4

ER -