-
hyperpolarizability, a nonlinear-optical
property of a molecule, is the
second order electric susceptibility per unit volume. The
hyperpolarizability...
-
Quantum chemistry Zhou, Juefei; Kuzyk, Mark G. (2008). "Intrinsic
Hyperpolarizabilities as a
Figure of
Merit for Electro-optic Molecules". The
Journal of...
- Kuzyk,
Benjamin J. Coe, Koen Clays, and Anne
Myers Kelley, "Why
Hyperpolarizabilities Fall
Short of the
Fundamental Quantum Limits," J. Chem. Phys. 121...
- polarizability". CODATA. "atomic unit of 1st
hyperpolarizability". CODATA. "atomic unit of 2nd
hyperpolarizability". CODATA. "atomic unit of
magnetic dipole...
-
Octopus can
calculate static and
dynamic polarizabilities and
first hyperpolarizabilities,
static magnetic susceptibilities,
absorption spectra, and perform...
- particles/nuclei with spin S ≥ 3⁄2.
Dielectric Electric susceptibility Hyperpolarizability Polarization density MOSCED, an
estimation method for
activity coefficients...
- exists; as many as five
augmented functions have been used in
second hyperpolarizability calculations in the literature.
Because of the
rigorous construction...
-
where μ is the polarizability, α is the
first hyperpolarizability, β is the
second hyperpolarizability, and so on.
Novel Nonlinear Media Certain molecular...
- second-order
hyperpolarizability tensor β, must be calculated. For
adsorbed molecules in a
uniaxial distribution, the only
independent hyperpolarizability tensor...
- full-accuracy,
canonical UMP2
energies and
analytical polarizabilities and
hyperpolarizabilities for HF and DFT wavefunctions. An
efficient vectorized Gaussian integral...
