Potential Energy Surface Stability and Decay Mechanisms of Excited Tetrahydrogen H sub 4.

Abstract

As a first attempt to study the stability of the Trigonal Pyramidal Hydrogen (C3V) cluster we have used the MRD-CI method and a medium size basis set to calculate various sections of the potential energy surfaces of its ground and first excited states. We show that these correlate to the Potential energy states of the two hydrogen constituents. Finally, we report on the calculation of the diabatic matrix elements of the vibronic interaction in the region of avoided crossing which is crucial to the stability of tetragonal hydrogen ion.

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Document Details

Document Type
Technical Report
Publication Date
Mar 01, 1987
Accession Number
ADA179975

Entities

People

  • A. Metropoulos
  • C. A. Nicolaides

Tags

Communities of Interest

  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Air Force
  • Air Force Facilities
  • Atoms
  • Chemistry
  • Classification
  • Crossings
  • Geometry
  • Government Procurement
  • Governments
  • Ground State
  • Hydrogen
  • Physical Chemistry
  • Potential Energy
  • Quantum Chemistry
  • Rocket Propulsion
  • Security
  • Triangles

Fields of Study

  • Physics

Readers

  • Quantum Chemistry
  • Theoretical Analysis.