A new generation of cool white dwarf atmosphere models. I. theoretical framework and applications to DZ stars
The photospheres of the coolest helium-atmosphere white dwarfs are characterized by
fluidlike densities. Under those conditions, standard approximations used in model …
fluidlike densities. Under those conditions, standard approximations used in model …
Computational Aspects of Interaction Hyperpolarizability Calculations. A Study on H2···H2, Ne···HF, Ne···FH, He···He, Ne···Ne, Ar···Ar, and Kr···Kr
G Maroulis - The Journal of Physical Chemistry A, 2000 - ACS Publications
We report an extensive investigation of the interaction hyperpolarizability of a number of
model systems: the hydrogen molecule dimer, the interaction of hydrogen fluoride with a …
model systems: the hydrogen molecule dimer, the interaction of hydrogen fluoride with a …
Path-integral calculation of the second dielectric and refractivity virial coefficients of helium, neon, and argon
We present a method to calculate dielectric and refractivity virial coefficients using the path-
integral Monte Carlo formulation of quantum statistical mechanics and validate it by …
integral Monte Carlo formulation of quantum statistical mechanics and validate it by …
Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon
Using augmented polarized correlation consistent basis sets extended with midbond
functions, we evaluate the ground state interaction potential and the induced electric dipole …
functions, we evaluate the ground state interaction potential and the induced electric dipole …
Calculation of linear and non-linear electric response properties of systems in aqueous solution: A polarizable quantum/classical approach with quantum repulsion …
We present a computational study of polarizabilities and hyperpolarizabilities of organic
molecules in aqueous solutions, focusing on solute–water interactions and the way they …
molecules in aqueous solutions, focusing on solute–water interactions and the way they …
The effect of intermolecular interactions on the electric properties of helium and argon. III. Quantum statistical calculations of the dielectric second virial coefficients
The second dielectric virial coefficients of helium and argon are investigated using a fully
quantum statistical approach and recent accurate ab initio results for the interatomic …
quantum statistical approach and recent accurate ab initio results for the interatomic …
The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in …
The frequency-dependent interaction induced polarizabilities and second
hyperpolarizabilities are calculated for He 2 at the coupled cluster singles and doubles and …
hyperpolarizabilities are calculated for He 2 at the coupled cluster singles and doubles and …
The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial …
The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients for the
helium and argon gases are evaluated for a wide range of temperatures using a …
helium and argon gases are evaluated for a wide range of temperatures using a …
Ab initio calculation of the refractivity and hyperpolarizability second virial coefficients of neon gas
Second virial coefficients for the density dependence of a number of electric properties are
calculated for neon gas. Employing an accurate CCSD (T) potential for the Ne2 van der …
calculated for neon gas. Employing an accurate CCSD (T) potential for the Ne2 van der …
High‐level ab initio methods for calculation of potential energy surfaces of van der Waals complexes
TJ Giese, DM York - International journal of quantum chemistry, 2004 - Wiley Online Library
A systematic series of highly correlated calculations of van der Waals potential energy
surfaces (PESs) with large basis sets is presented. Reference data at the coupled-cluster …
surfaces (PESs) with large basis sets is presented. Reference data at the coupled-cluster …