Title: Complete collision data set for electrons scattering on molecular hydrogen and its isotopologues: I. Fully vibrationally-resolved electronic excitation of H₂ $$X^1Σ^+_g)$$

Abstract

Here, we present a comprehensive set of vibrationally-resolved cross sections for electron-impact electronic excitation of molecular hydrogen suitable for implementation in collisional-radiative models. The adiabatic-nuclei molecular convergent close-coupling method is used to calculate cross sections for excitation of all bound vibrational levels and dissociative excitation of the $B{}^1{\Sigma }_u^{+}$, $C{}^1{\Pi }_u$, $EF{}^1{\Sigma }_g^{+}$, $B^{\prime }{}^1{\Sigma }_u^{+}$, $GK{}^1{\Sigma }_g^{+}$, $I{}^1{\Pi }_g$, $J{}^1{\Delta }_g$, $D{}^1{\Pi }_u$, $H{}^1{\Sigma }_g^{+}$, $b{}^3{\Sigma }_u^{+}$, $c{}^3{\Pi }_u$, $a{}^3{\Sigma }_g^{+}$, $e{}^3{\Sigma }_u^{+}$, $d{}^3{\Pi }_u$, $h{}^3{\Sigma }_g^{+}$, $g{}^3{\Sigma }_g^{+}$, $i{}^3{\Pi }_g$, and $j{}^3{\Delta }_g$ electronic states from all –14 bound vibrational levels of the ground electronic ($$\text{X}$$ $$^1Σ^+_g$$) state. The data set consists of cross sections from threshold to 500 eV for over 5000 transitions, representing all possible electronic and vibrational transitions between the state and the –3 singlet and triplet states (where refers to the united-atoms-limit principle quantum number). The cross sections are presented in graphical form and provided as both numerical values and analytic fit functions in supplementary data files.

Authors:

Scarlett, Liam H. ^[1]; Fursa, Dmitry V. ^[1]; Zammit, Mark Christian  ^[2];

• Search DOE PAGES for author "Zammit, Mark Christian"
• Search DOE PAGES for ORCID "0000-0003-0473-379X"

Bray, Igor ^[1]; Ralchenko, Yuri ^[3]; Davie, Kayla D. ^[4]

---

+ Show Author Affiliations

1. Curtin Univ., Perth (Australia)
2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
3. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
4. Univ. of Maryland, College Park, MD (United States)

Publication Date:

Wed Jul 15 00:00:00 EDT 2020

Research Org.:

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Org.:

US Air Force Office of Scientific Research (AFOSR); Australian Government; Government of Western Australia; Forrest Research Foundation; USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:

1641560

Alternate Identifier(s):

OSTI ID: 1809326

Report Number(s):

LA-UR-20-20907
Journal ID: ISSN 0092-640X; TRN: US2202044

Grant/Contract Number:  

89233218CNA000001; 89233218NCA000001

Resource Type:

Accepted Manuscript

Journal Name:

Atomic Data and Nuclear Data Tables

Additional Journal Information:

Journal Volume: 137; Journal Issue: C; Journal ID: ISSN 0092-640X

Publisher:

Elsevier

Country of Publication:

United States

Language:

English

Subject:

74 ATOMIC AND MOLECULAR PHYSICS