Hamiltonian flow over saddles for exploring molecular phase space structures
Sign Up to like & getrecommendations! Published in 2018 at "Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences"
DOI: 10.1098/rsta.2017.0148
Abstract: Despite using potential energy surfaces, multivariable functions on molecular configuration space, to comprehend chemical dynamics for decades, the real happenings in molecules occur in phase space, in which the states of a classical dynamical system… read more here.
Keywords: saddles exploring; space; flow saddles; hamiltonian flow ... See more keywords
Hamiltonian flow equations for a Dirac particle in large scalar and vector potentials
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review C"
DOI: 10.1103/physrevc.100.044322
Abstract: An efficient solution of the Dirac Hamiltonian flow equations has been proposed through a novel expandsion with the inverse of the Dirac effective mass. The efficiency and accuracy of this new expansion have been demonstrated… read more here.
Keywords: hamiltonian flow; flow equations; large scalar; vector potentials ... See more keywords