Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Normal-mode/rigid-rotor Hamiltonian

The classical normal-mode/rigid-rotor Hamiltonian is composed of the vibrational energy vib of Eq. (2.4) and the classical rotational energy... [Pg.177]

This sampling, with the normal-mode/rigid-rotor Hamiltonian, provides an exact microcanonical ensemble for this Hamiltonian, but an approximate microcanonical ensemble for the actual anharmonic and reactive Hamiltonian with vibrational-rotational coupling. [Pg.101]

See other pages where Normal-mode/rigid-rotor Hamiltonian is mentioned: [Pg.171] [Pg.177] [Pg.177] [Pg.194] [Pg.99] [Pg.111] [Pg.171] [Pg.177] [Pg.177] [Pg.194] [Pg.99] [Pg.111] [Pg.165]

See also in sourсe #XX -- [ Pg.99 , Pg.101 ]

SEARCH

Hamiltonian modes

Hamiltonian normal modes

Rigid rotor