Excitation energies and potential energy curves for the 19 excited electronic terms of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si122.gif" overflow="scroll"><mml:mrow><mml:msup><mml:mrow><mml:mtext>CH</mml:mtext></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>: Efficiency examination of the multireference first-order polarization propagator approximation

Seleznev, Alexey O.; Khrustov, V. F.; Stepanov, N. F.

doi:10.1016/j.cplett.2013.10.010

Cited by 2 publications

(1 citation statement)

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“…Extended calculations provide information on the b 3 Σ − state (Saxon & Liu 1983) and the d 3 Π state correlating to C( 3 P)+H + (Levy et al 1985;Stancil et al 1998a;Biglari et al 2014). Other recent sophisticated calculations include the quasi-degenerate many body perturbation theory (MBPT) approach of Kanzler et al (1991), the equation of motion coupled cluster (EOMCCSDT) method developed by Kowalski & Piecuch (2001), the multi-reference perturbation theory (MRPT) used by Seleznev & Khrustov (2012); Seleznev et al (2013), and the effective (mass-dependent) calculations of Sauer & Spirko (2013).…”

Section: Molecular Structurementioning

confidence: 99%

Radiative association of C(3P) and H+: triplet states

Babb

McLaughlin

2017

Monthly Notices of the Royal Astronomical Society

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The radiative association of C( 3 P) and H + is investigated by calculating cross sections for photon emission into bound ro-vibrational states of CH + from the vibrational continua of initial triplet d 3 Π or b 3 Σ − states. Potential energy curves and transition dipole moments are calculated using multi-reference configuration interaction (MRCI) methods with AV6Z basis sets. The cross sections are evaluated using quantum-mechanical methods and rate coefficients are calculated. The rate coefficients are about 100 times larger than those for radiative association of C + ( 2 P o ) and H from the A 1 Π state. We also confirm that the formation of CH + by radiative association of C + ( 2 P o ) and H via the triplet c 3 Σ + state is a minor process.

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