相关论文: Spectroscopy of YO from first principles
In this work, we explore the entanglement structure of two $N = Z$ nuclei, $^{20}$Ne and $^{22}$Na using single-orbital entanglement entropy within the No-Core Shell Model (NCSM) framework for two realistic interactions, INOY and N$^3$LO.…
In a previous paper [J. Phys.: Conf. Ser. 682 (2016) 012032}, arXiv:1605.05593] we studied analytically the energy spectra of a finite-size spin $\tfrac12$ XY chain (molecule) coupled at an arbitrary spin site to a single mode of an…
Ru and Rh are interesting cases for comparing equations of state (EOS), because most general purpose EOS are semi-empirical, relying heavily on shock data, and none has been reported for Ru. EOS were calculated for both elements using…
The YGLO (Yang-Grasso-Lacroix-Orsay) functional is applied for the first time to investigate ground-state properties of different isotopic chains, from Oxygen to Lead. Mean-field Hartree-Fock calculations are carried out to analyze global…
The double electron attachment (DEA) and double ionization potential (DIP) equation-of-motion coupled-cluster (EOMCC) methods including up to 4-particle-2-hole (4$p$-2$h$) and 4-hole-2-particle (4$h$-2$p$) excitations on top of…
The impact of superconducting correlations on localized electronic states is important for a wide range of experiments in fundamental and applied superconductivity (SC). This includes scanning tunneling microscopy of atomic impurities at…
The knowledge of the energy spectrum completely defines the dynamics of a quantum system for a given initial state. This makes spectroscopy a key characterization technique when studying or designing qubits and complex quantum systems. In…
{\tt yambo} is an {\it ab initio} code for calculating quasiparticle energies and optical properties of electronic systems within the framework of many-body perturbation theory and time-dependent density functional theory. Quasiparticle…
We present excitation energies for molecular doublets from a spin-adapted formulation of coupled cluster singles and doubles theory. The entanglement coupled cluster approach represents an unconventional take on the notorious problem of…
Inspired by the newly discovered isomeric states in the rare-earth neutron-rich nuclei, high-$K$ isomeric states in neutron-rich samarium and gadolinium isotopes are investigated within the framework of the cranked shell model (CSM) with…
We have studied spin excitation spectra in the Shastry-Sutherland model compound SrCu$_2$(BO$_3$)$_2$ in magnetic fields using far-infrared Fourier spectroscopy. The transitions from the ground singlet state to the triplet state at 24…
We employ the chiral nucleon-nucleon potential derived using the method of unitary transformation up to next-to-next-to-leading order (NNLO) to study bound and scattering states in the two-nucleon system. The predicted partial wave phase…
We propose the multi-state complete-active-space second-order perturbation theory spin-orbit method (MS-CASPT2-SO) for electronic structure calculations. It is a two-step spin-orbit coupling method that does not make use of energy shifts…
Comprehensive line lists for phosphorus monoxide ($^{31}$P$^{16}$O) and phosphorus monosulphide ($^{31}$P$^{32}$S) in their $X$ $^2\Pi$ electronic ground state are presented. The line lists are based on new ab initio potential energy (PEC),…
We report the quasirelativistic potential energy curves including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0$^+$, 0$^-$, 1, and 2 molecular states correlate for large internuclear…
The interaction of classical and quantized electromagnetic fields with an ensemble of atoms in an optical cavity is considered. Four fields drive a double-lambda level scheme in the atoms, consisting of a pair of lambda systems sharing the…
Present-day state-of-the-art ab initio many-body calculations on f-block containing cold molecules heavily focus on perturbative approaches for spin-orbit coupling and exclude a substantial part of the atomic transitions in the $f$- and…
We present new compact integrated expressions of QCD spectral functions of heavy-light molecules and four-quark $XYZ$-like states at lowest order (LO) of perturbative (PT) QCD and up to $d=8$ condensates of the Operator Product Expansion…
Experimentally the spin dependence of inelastic collisions between ytterbium (Yb) in the metastable 3P0 state and lithium (Li) in the Li ground state manifold is investigated at low magnetic fields. Using selective excitation all magnetic…
The structural and magnetic properties of two mixed-valence cobaltites with formal population of 0.30 Co$^{4+}$ ions per f.u., (Pr$_{1-y}$Y$_{y}$)$_{0.7}$Ca$_{0.3}$CoO$_3$ ($y=0$ and 0.15), have been studied down to very low temperatures by…