(Q57402350)

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Analytic potential energy surfaces and their couplings for the electronically nonadiabatic chemical processes Na(3p)+H2→Na(3s)+H2 and Na(3p)+H2→NaH+H

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scholarly article

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Analytic potential energy surfaces and their couplings for the electronically nonadiabatic chemical processes Na(3p)+H2→Na(3s)+H2 and Na(3p)+H2→NaH+H (English)

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potential energy

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object named as

Donald G. Truhlar

2

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author name string

Michael D. Hack

1

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language of work or name

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publication date

March 1999

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Journal of Chemical Physics

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110

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9

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4315-4337

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The quenching of Na(3 2P) by H2: Interactions and dynamics

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Trajectory‐surface‐hopping study of Na(3p 2P) +H2 → Na(3s 2S)+H2(v′, j′, θ)

1 reference

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Converged quantum-mechanical calculations of electronic-to-vibrational, rotational energy transfer probabilities in a system with a conical intersection

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Partial widths of feshbach funnel resonances in the Na(3p) � H2 exciplex

1 reference

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Algebraic variational and propagation formalisms for quantal dynamics calculations of electronic‐to‐vibrational, rotational energy transfer and application to the quenching of the 3pstate of sodium by hydrogen molecules

1 reference

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Validation of trajectory surface hopping methods against accurate quantum mechanical dynamics and semiclassical analysis of electronic-to-vibrational energy transfer

1 reference

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A new diabatic representation of the coupled potential energy surfaces for Na(3p 2P)+H2→Na(3s 2S)+H2 or NaH+H

1 reference

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Conditions for the definition of a strictly diabatic electronic basis for molecular systems

1 reference

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1 reference

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On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

1 reference

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General atomic and molecular electronic structure system

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Potential energy surfaces of NaFH

1 reference

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Pseudopotential molecular-structure calculations for alkali-metal-atom-H2 systems

1 reference

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On a New Method of Drawing the Potential Energy Surface

1 reference

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1 reference

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Identifiers

10.1063/1.478314

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