1988
DOI: 10.1103/physreva.37.3749
|View full text |Cite
|
Sign up to set email alerts
|

Complex Kohn variational method: Application to low-energy electron-molecule collisions

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

1
61
1

Year Published

1998
1998
2022
2022

Publication Types

Select...
7
2

Relationship

0
9

Authors

Journals

citations
Cited by 109 publications
(63 citation statements)
references
References 27 publications
1
61
1
Order By: Relevance
“…The first electronic excitation energy of CH 3 OH is found to be 8.55 eV using the configuration interaction (CI) model, which agrees well with the calculated value of 8.53 eV reported by Vinodkumar et al [12], albeit higher compared to the theoretical value of 6.76 eV reported by Bouchiha et al [3] and the experimental value of 6.5 eV reported by Knoop et al [19]. The present dipole moment is 2.28 D, which is slightly higher compared to the theoretical value of 1.97 D [3] The most popular methodologies employed for low-energy electron collision calculations are the Kohn variational method [20,21], the Schwinger variational method [22][23][24], and the R-matrix method, of which the R matrix is the most widely used. The underlying idea behind the R-matrix method relies on the division of configuration space into two spatial regions, namely, the inner region and the outer region.…”
Section: A Target Model Used For Low-energy Calculationscontrasting
confidence: 45%
“…The first electronic excitation energy of CH 3 OH is found to be 8.55 eV using the configuration interaction (CI) model, which agrees well with the calculated value of 8.53 eV reported by Vinodkumar et al [12], albeit higher compared to the theoretical value of 6.76 eV reported by Bouchiha et al [3] and the experimental value of 6.5 eV reported by Knoop et al [19]. The present dipole moment is 2.28 D, which is slightly higher compared to the theoretical value of 1.97 D [3] The most popular methodologies employed for low-energy electron collision calculations are the Kohn variational method [20,21], the Schwinger variational method [22][23][24], and the R-matrix method, of which the R matrix is the most widely used. The underlying idea behind the R-matrix method relies on the division of configuration space into two spatial regions, namely, the inner region and the outer region.…”
Section: A Target Model Used For Low-energy Calculationscontrasting
confidence: 45%
“…They are performed via an expansion of the wave functions of the scattering states in terms of a hyperspherical harmonic (HH) basis and using the complex form of the Kohn variational principle [45,46]. These new calculations reach a much higher degree of accuracy than those performed previously using the correlated hyperspherical harmonic (CHH) functions [10].…”
Section: B P-3 He Elastic Scatteringmentioning
confidence: 99%
“…There exists a variety of methods for computing resonance parameters, though none have been sufficiently developed so as to provide a reliable algorithm that can be generally applied even to the low-lying resonances of small molecules. Scattering methods [5][6][7][8][9][10] treat the continuum with explicit use of scattering boundary conditions in order to compute observables like the crosssection. Stabilization methods 11,12 and associated analytic continuation methods, [13][14][15] use continuum eigenvalues from bound state calculations to extract resonance a) Electronic mail: mhg@cchem.berkeley.edu b) Electronic mail: cwmccurdy@ucdavis.edu parameters.…”
Section: Introductionmentioning
confidence: 99%