Multiconfiguration self-consistent field and multireference configuration interaction methods and applications
The configuration interaction (CI) method is a general procedure to compute approximate
solutions to the electronic Schrödinger equation. The wave function is written as a linear …
solutions to the electronic Schrödinger equation. The wave function is written as a linear …
Relativistic coupled‐cluster and equation‐of‐motion coupled‐cluster methods
The development of relativistic coupled‐cluster (CC) and equation‐of‐motion coupled‐
cluster (EOM‐CC) methods is reviewed. An emphasis is placed on recent efforts to improve …
cluster (EOM‐CC) methods is reviewed. An emphasis is placed on recent efforts to improve …
Ultracold molecules formed by photoassociation: Heteronuclear dimers, inelastic collisions, and interactions with ultrashort laser pulses
Photoassociation of molecules out of an ultracold gas was thefirst successful approach to
create a gas of molecules in the electronic ground state at translational temperatures in the …
create a gas of molecules in the electronic ground state at translational temperatures in the …
Quantum degenerate mixtures of alkali and alkaline-earth-like atoms
We realize simultaneous quantum degeneracy in mixtures consisting of the alkali and
alkaline-earth-like atoms Li and Yb. This is accomplished within an optical trap by …
alkaline-earth-like atoms Li and Yb. This is accomplished within an optical trap by …
Invited review: Relativistic wave-function based electron correlation methods
T Fleig - Chemical Physics, 2012 - Elsevier
Recent developments in molecular relativistic electronic-structure theory are reviewed, with
a particular emphasis on post-Hartree–Fock electron correlation methodology. The …
a particular emphasis on post-Hartree–Fock electron correlation methodology. The …
Scattering lengths in isotopologues of the RbYb system
We model the binding energies of rovibrational levels of the RbYb molecule using
experimental data from two-color photoassociation spectroscopy in mixtures of ultracold 87 …
experimental data from two-color photoassociation spectroscopy in mixtures of ultracold 87 …
Laser cooling and electronic structure studies of CaK and its ions CaK±
Aiming at a laser cooling investigation, we have used ab initio complete active space self
consistent field (CASSCF)/(MRCI+ Q) calculations to study the electronic structure of the …
consistent field (CASSCF)/(MRCI+ Q) calculations to study the electronic structure of the …
Two-photon photoassociation spectroscopy of heteronuclear YbRb
F Münchow, C Bruni, M Madalinski… - Physical Chemistry …, 2011 - pubs.rsc.org
We report on the spectroscopic investigation of vibrational levels in the electronic ground
state of the heteronuclear molecule 176Yb87Rb. Using two-photon photoassociation …
state of the heteronuclear molecule 176Yb87Rb. Using two-photon photoassociation …
Diatomic molecules of alkali-metal and alkaline-earth-metal atoms: interaction potentials, dipole moments, and polarizabilities
Ultracold diatomic molecules find application in quantum studies ranging from controlled
chemistry and precision measurement physics to quantum many-body simulation and …
chemistry and precision measurement physics to quantum many-body simulation and …
Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level
multi-reference techniques has been implemented in the most recent version of the …
multi-reference techniques has been implemented in the most recent version of the …