Electronic excitation of formaldehyde by low-energy electrons: A theoretical study using the complex Kohn variational method

Journal Article · Thu Mar 01 00:00:00 EST 1990 · Physical Review, A (General Physics); (USA)

DOI:https://doi.org/10.1103/PhysRevA.41.2462· OSTI ID:7134818

Rescigno, T N; Lengsfield, III, B H ^[1]; McCurdy, C W ^[2]

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1. Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550 (USA)
2. Department of Chemistry, The Ohio State University, Columbus, Ohio 43210 (USA)

We report results of a fully {ital ab} {ital initio} treatment of electronic excitation in a polyatomic molecule by electron impact. We have calculated total and differential cross sections for exciting the two lowest ({ital n}{r arrow}{pi}{sup *}){sup 1,3}A{sub 2} excited states of H{sub 2}CO for collision energies between 5 and 20 eV. The calculations were carried out in a three-state close-coupling approximation using the complex Kohn variational method. The absence of any backward peaking in the cross sections calculated for the {sup 3}A{sub 2} state is reminiscent of a rigorous selection rule for {Sigma}{sup +}-{Sigma}{sup {minus}} transitions in linear molecules. However, with no experimental studies available for comparison, the present results must be regarded as predictive.

• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 7134818
• Journal Information: Physical Review, A (General Physics); (USA), Vol. 41:5; ISSN 0556-2791
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
FORMALDEHYDE
ELECTRON-MOLECULE COLLISIONS
DIFFERENTIAL CROSS SECTIONS
EV RANGE 01-10
EV RANGE 10-100
EXCITATION
TOTAL CROSS SECTIONS
VARIATIONAL METHODS
ALDEHYDES
COLLISIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ENERGY RANGE
ENERGY-LEVEL TRANSITIONS
EV RANGE
MOLECULE COLLISIONS
ORGANIC COMPOUNDS
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena