Related papers: General variational approach to nuclear-quadrupole…
Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…
Determining the vibrational structure of a molecule is central to fundamental applications in several areas, from atmospheric science to catalysis, fuel combustion modeling, biochemical imaging, and astrochemistry. However, when significant…
Quantum mechanical tunneling inversion transition in ammonia NH3 is actively used as a sensitive tool to study possible variations of the electron-to-proton mass ratio, mu = m_e/m_p. The molecule H3O+ has the inversion barrier significantly…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the…
A study of the $\lambda$- and $N$-atomic configurations under dipolar interaction with $2$ modes of electromagnetic radiation is presented. The corresponding quantum phase diagrams are obtained by means of a variational procedure. Both…
The interacting boson model is extended to describe the spectroscopy of superdeformed bands. Microscopic structure of the model in the second minimum is discussed and superdeformed bosons are introduced as the new building blocks. Solutions…
In the frame of the algebraic Riemann Rotational Model one computes the longitudinal, transverse and toroidal multipoles corresponding to the excitations of low-lying levels in the ground state band of several even-even nuclei by inelastic…
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The implementation is completely general, allowing for…
Lanthanide-based single-ion magnetic molecules can have large magnetic hyperfine interactions as well as large magnetic anisotropy. Recent experimental studies reported tunability of these properties by changes of chemical environments or…
Heavy atom compounds represent a challenge for computational chemistry, due to the need for simultaneous treatment of relativistic and correlation effects. Often such systems exhibit also strong correlation which hampers the application of…
We discuss the effects of multi-phonon excitations on heavy-ion fusion reactions at energies near and below the Coulomb barrier, focusing especially on the role of anharmonicities. We carry out a systematic study of those effects on the…
By using the general triaxial rotor model (TRM) and the phonon-configuration mixing scheme within an anharmonic-vibrator(AHV) framework, a series of global correlations between electromagnetic properties of nuclear $2^+_1$ and $2^+_2$…
We revisit the derivation of multipole contributions to the atom-wall interaction previously presented in [G. Lach et al., Phys. Rev. A 81, 052507 (2010)]. A careful reconsideration of the angular-momentum decomposition of the second-,…
In a nucleus which has two Hartree states deformed in quadrupole symmetry, i.e., prolate state and oblate state, the nuclear residual interaction derived in the present theory beyond the Hartree approximation acts as the restoring force for…
We perform the four-body calculation of the hyperfine structure in the first rotational state $J=1$ of the H$_2$, D$_2$, and HD molecules and determine the accurate value for the deuteron electric quadrupole moment $Q_d =…
We construct a non-perturbative approach based on quantum averaging combined with resonant transformations to detect the resonances of a given Hamiltonian and to treat them. This approach, that generalizes the rotating-wave approximation,…
We present an alternative scheme for calculating the unrestricted Hartree-Fock equation. The scheme is based on the variational method utilizing the sophisticated basis functions that include no adjustable parameters. The validity and…
We introduce the Anharmonic Oscillator Symmetry Model to describe vibrational excitations in molecular systems exhibiting high degree of symmetry. A systematic procedure is proposed to establish the relation between the algebraic and…
Precision calculations of the fine and hyperfine structure of muonic atoms are performed in a relativistic approach and results for muonic 205 Bi, 147 Sm, and 89 Zr are presented. The hyperfine structure due to magnetic dipole and electric…