Variational basis-set calculations of accurate quantum mechanical reaction probabilities

Variational basis-set calculations of accurate quantum mechanical reaction probabilities

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http://www.wikidata.org/entity/Q57402607
Low-temperature D(+) + H2 reaction: a time-dependent coupled wave-packet study in hyperspherical coordinates.Anomalous singularities in the complex Kohn variational principle of quantum scattering theory.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 moleculesComplex generalized minimal residual algorithm for iterative solution of quantum‐mechanical reactive scattering equationsImproved techniques for outgoing wave variational principle calculations of converged state‐to‐state transition probabilities for chemical reactionsDynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theoryConverged quantum dynamics calculations for the F+H2 reaction on the well‐studied M5 potential‐energy surfaceSupercomputer Chemistry At the University of MinnesotaL2 amplitude density method for multichannel inelastic and rearrangement collisionsTime-dependent wave-packet method for the complete determination ofS-matrix elements for reactive molecular collisions in three dimensionsAccurate adiabatic potential energy surface for 12A′ state of FH2 based on ab initio data extrapolated to the complete basis set limit
P2860

Variational basis-set calculations of accurate quantum mechanical reaction probabilities

Item
http://www.wikidata.org/entity/Q57402607
description
article
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в листопаді 1987
@uk
name
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
@en
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
@nl
type
label
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
@en
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
@nl
prefLabel
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
@en
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
@nl
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P356
P1433
P1476
Variational basis-set calculations of accurate quantum mechanical reaction probabilities
@en
P2093
P304
P31
P356
P433
P478
P50
P577