相关论文: Configuration interaction calculation for the isot…
The method of Monte Carlo configuration interaction (MCCI) [1,2] is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the…
We propose a new ab initio method designed for the accurate calculation of effective exchange integrals between atoms with numerous open-shells. This method applies to ferromagnetic as well as antiferromagnetic exchange, direct or…
A generic property of a first-order phase transition in equilibrium, and in the limit of large entropy per unit of conserved charge, is the smallness of the isentropic speed of sound in the ``mixed phase''. A specific prediction is that…
Isotope shifts in the nuclear charge radius of even and odd calcium isotopes are calculated within the nuclear shell model. The model space includes all configurations of nucleons in the $2s, 1d_{3/2}, 1f_{7/2}, {\rm and} ~2p_{3/2}$ orbits.…
We calculated the magnetic dipole hyperfine interaction constants and the electric field gradients of $2p^53p~^2[3/2]_2$ and $2p^53s~^2[3/2]^o_2$ levels of Ne I by using the multiconfiguration Dirac-Hartree-Fock method. The electronic…
Deformed Hartree-Fock-Bogoliubov calculations for finite nuclei are carried out. As residual interaction, a Brueckner G-matrix derived from a meson-exchange potential is taken. Phenomenological medium modifications of the meson masses are…
The Isochronous Mass Spectrometry (IMS) is a powerful technique developed in heavy-ion storage rings for measuring masses of very short-lived exotic nuclei. The IMS is based on the isochronous setting of the ring. One of the main parameters…
Resonance energies are frequently derived from precisely measured excitation energies and reaction Q-values. The latter quantities are usually calculated from atomic instead of nuclear mass differences. This procedure disregards the energy…
We have developed a broadly-applicable approach that drastically increases the ability to accurately predict properties of complex atoms. We applied it to the case of Ir$^{17+}$, which is of particular interest for the development of novel…
Configuration Interaction (CI) calculations on the ground state of the C atom are carried out using a small basis set of Slater orbitals [7s6p5d4f3g]. The configurations are selected according to their contribution to the total energy. One…
In a previous work a model was proposed for the phase transitions of crystals with localized magnetic moments which at low temperature have a "conical" arrangement that at higher T transforms into a more symmetrical structure (depending on…
The configuration interaction approach provides a conceptually simple and powerful approach to solve the Schr\"odinger equation for realistic molecules and materials but is characterized by an unfavourable scaling, which strongly limits its…
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separate adsorbate from substrate, these methods can achieve a…
We develop a perturbative approach for calculating, within the quasistatic approximation, the shift of surface resonances in response to a deformation of a dielectric volume. Our strategy is based on the conversion of the homogeneous system…
Motivated by recent experiments, we study the interaction corrections to the damping of magnetooscillations in a two-dimensional electron gas (2DEG). We identify leading contributions to the interaction-induced damping which are induced by…
We employ a technique that combines the configuration interaction method with the singles-doubles coupled-cluster method to perform calculation of the energy levels, transition amplitudes, lifetimes, g-factors, and magnetic dipole and…
Fractionation of isotopes among distinct molecules or phases is a quantum effect which is often exploited to obtain insights on reaction mechanisms, biochemical, geochemical and atmospheric phenomena. Accurate evaluation of isotope ratios…
In a recent paper, we proposed the adaptive shift method for correcting the undersampling bias of the initiator-FCIQMC. The method allows faster convergence with the number of walkers to the FCI limit than the normal initiator method,…
A version of the configuration interaction method, which has been recently developed to deal with large number of valence electrons, has been used to calculate magnetic dipole and electric quadrupole hyperfine structure constants for a…
We discuss a new method to search for a new very weakly interacting light boson with extremely precise atomic spectroscopy, namely, the atomic clock. The contribution of the new physics may appear as the violation of a linear relation of…