Quantum and classical dynamics of H + CaCl(X 2Σ+) → HCl + Ca(1S) reaction and vibrational energy levels of the HCaCl complex
2016 ◽
Vol 18
(23)
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pp. 15673-15685
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Keyword(s):
We carried out accurate quantum wave packet as well as quasi-classical trajectory (QCT) calculations for H + CaCl (νi = 0, ji = 0) reaction occurring on an adiabatic ground state. Recent ab initio potential energy surface is employed to calculate the quantum and QCT reaction probabilities for several partial waves (J = 0, 10, and 20) as well as state resolved QCT integral and differential cross sections.
2014 ◽
Vol 141
(10)
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pp. 104301
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2006 ◽
Vol 8
(24)
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pp. 2855
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2019 ◽
Vol 21
(25)
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pp. 13766-13775
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2013 ◽
Vol 12
(01)
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pp. 1250093
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1984 ◽
Vol 13
(4)
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pp. 945-1068
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Keyword(s):
2011 ◽
Vol 10
(03)
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pp. 297-307
2011 ◽
Vol 501
(4-6)
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pp. 179-186
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2012 ◽
Vol 274
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pp. 28-34
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2008 ◽
Vol 19
(5)
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pp. 627-630
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Keyword(s):