symmetric top (combined)

Community: MathModDB

mathematical model

Available identifiers

MaRDI QIDQ6675444 FDOQ6675444

modeling a polar oblate or prolate molecule as a rigid symmetric top, interacting with electric fields

Description

Modeling a polar oblate (e.g. C6H6) or prolate (e.g. CH3Cl) molecule as a rigid symmetric top, interacting through both its permanent and induced electric dipole moment with electric fields. Note that analytical solutions to the TISE are available, see corresponding Task.

List of contained entities

molecular alignment	$A = ⟨ ψ \| \cos^{2} θ \| ψ ⟩$
	$ψ$ represents quantum state
	$θ$ represents polar angle

molecular orientation	$O = ⟨ ψ \| \cos θ \| ψ ⟩$
	$ψ$ represents quantum state
	$θ$ represents polar angle

quantum Hamiltonian (electric dipole)	$H = H_{0} - μ \cdot ℰ$
	$H$ represents quantum Hamiltonian (electric dipole)
	$H_{0}$ represents Hamiltonian operator
	$ℰ$ represents electric field
	$μ$ represents electric dipole moment

quantum Hamiltonian (electric polarizability)	$H = H_{0} - \frac{1}{2} α ℰ^{2}$
	$H$ represents Hamiltonian operator
	$H_{0}$ represents Hamiltonian operator
	$α$ represents polarizability
	$ℰ$ represents electric field

quantum Hamiltonian (symmetric top)	$\hat{H} = A {\hat{J_{A}}}^{2} + B {\hat{J_{B}}}^{2} + C {\hat{J_{C}}}^{2}$
	$A$ represents rotational constant
	$B$ represents rotational constant
	$C$ represents rotational constant
	$J_{A}$ represents angular momentum operator
	$J_{B}$ represents angular momentum operator
	$J_{C}$ represents angular momentum operator
	$\hat{H}$ represents Hamiltonian operator

List of computational tasks

optimal control
quantum conditional quasi-solvability
quantum stationary states
quantum time evolution

Further items linking to symmetric top (combined)

Item	Property
molecular rotation	modelled by

This page was built for model: symmetric top (combined)