相关论文: A First Principles Theory of Nuclear Magnetic Reso…
$J/\Psi$-nuclear bound state energies are calculated for a range of nuclei by solving the Proca (Klein-Gordon) equation. Critical input for the calculations, namely the medium-modified $D$ and $D^*$ meson masses, as well as the nucleon…
A number of diverse bulk properties of the zincblende and wurtzite III-V nitrides AlN, GaN, and InN, are predicted from first principles within density functional theory using the plane-wave ultrasoft pseudopotential method, within both the…
Understanding and predicting the properties of solid-state materials from first-principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve…
We report calculations of the superfluid pairing gap in neutron matter for the $^1S_0$ components of the Reid soft-core $V_6$ and the Argonne $V_{4}'$ two-nucleon interactions. Ground-state calculations have been carried out using the…
The efficiency of dipole-dipole coupling driven coherence transfer experiments in solid-state NMR spectroscopy of powder samples is limited by dispersion of the orientation of the internuclear vectors relative to the external magnetic…
We propose a novel approach to model amorphous materials using a first principles density functional method while simultaneously enforcing agreement with selected experimental data. We illustrate our method with applications to amorphous…
Dynamic nuclear polarization is widely used to enhance the sensitivity of nuclear magnetic resonance. It is presently the method of choice for enhancing the sensitivity of high-field solid state NMR experiments performed under cryogenic…
A new method is proposed for fitting non-relativistic binary-scattering data and for extracting the parameters of possible quantum resonances in the compound system that is formed during the collision. The method combines the well-known…
We compute the orbital magnetization in real materials by evaluating a recently discovered formula for periodic systems, within density functional theory. We obtain improved values of the orbital magnetization in the ferromagnetic metals…
Group theoretic methods to construct all N-particle singlet states by iterative recursion are presented. These techniques are applied to the quantum correlations of four spin one-half particles in their singlet states. Multipartite…
We present a novel nuclear energy density functional method to calculate spectroscopic properties of atomic nuclei. Intrinsic nuclear quadrupole deformations and rotational frequencies are considered simultaneously as the degrees of freedom…
Iron oxide magnetic nanoparticles (NPs) are stimuli-responsive materials at the forefront of nanomedicine. Their realistic finite temperature simulations are a formidable challenge for first-principles methods. Here, we use density…
The calculation of neutrino decoupling from nuclear matter requires a transport formalism capable of handling both collisions and flavor mixing. The first steps towards such a formalism are the construction of neutrino and antineutrino…
A theoretical study of Mo2TiAlC2 compound belonging to the MAX phases has been performed by using the firstprinciples pseudopotential plane-wave method within the generalized gradient approximation. We have calculated the structural,…
Radio pulsar timing, X-ray pulse profile modeling or gravitational-wave detections of binary mergers involving at least one neutron star offer the opportunity to elucidate the properties of dense and neutron rich matter in thermodynamic…
A coupling-constant definition is given based on the compositeness property of some particle states with respect to the elementary states of other particles. It is applied in the context of the vector-spin-1/2-particle interaction vertices…
Various nuclear structure observables are evaluated employing low-momentum nucleon-nucleon (NN) potentials $V_{\rm low-k}$ derived from the CD-Bonn and Nijmegen NN interactions $V_{NN}$. By construction, the high momentum modes of the…
A new parametrization PC-PK1 for the nuclear covariant energy density functional with nonlinear point-coupling interaction is proposed by fitting to observables for 60 selected spherical nuclei, including the binding energies, charge radii…
Signal reception of nuclear magnetic resonance (NMR) usually relies on electrical amplification of the electromotive force caused by nuclear induction. Here, we report up-conversion of a radio-frequency NMR signal to an optical regime using…
We present the first application of statistical spectroscopy to study the root-mean-square value of the parity nonconserving (PNC) interaction matrix element M determined experimentally by scattering longitudinally polarized neutrons from…