相关论文: Short-range correlation in high-momentum antisymme…
Time-resolved investigations of ultrafast electronic and molecular dynamics were not possible until recently. The typical time scale of these processes is in the picosecond to attosecond realm. The tremendous technological progress in…
Nuclear magnetic resonance (NMR) has enormous applications. Two-dimensional NMR is an essential technique to characterize correlations between nuclei and, hence, molecule structures. Towards the ultimate goal of single-molecule NMR,…
We employ the Unitary Correlation Operator Method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
We present a generic approach for treating the effect of nuclear motion in the high-order harmonic generation from polyatomic molecules. Our procedure relies on a separation of nuclear and electron dynamics where we account for the…
We employ correlated realistic nucleon-nucleon interactions for the description of nuclear ground states throughout the nuclear chart within the Hartree-Fock approximation. The crucial short-range central and tensor correlations, which are…
The Hamiltonian for a small number, N <= 11, of bosons in a rapidly rotating harmonic trap, interacting via a short range (contact potential) or a long range (Coulomb) interaction, is studied via an exact diagonalization in the lowest…
In spite of missing dynamical correlations, the projected generator coordinate method (PGCM) was recently shown to be a suitable method to tackle the low-lying spectroscopy of complex nuclei. Still, describing absolute binding energies and…
A particle-core Hamiltonian is used to describe the lowest parity partner bands $K^{\pi}=1/2^{\pm}$ in $^{219}$Ra, $^{237}$U and $^{239}$Pu, and three parity partner bands, $K^{\pi}=1/2^{\pm}, 3/2^{\pm}, 5/2^{\pm}$, in $^{227}$Ra. The core…
We review a molecular dynamics method for nucleon many-body systems called the quantum molecular dynamics (QMD) and our studies using this method. These studies address the structure and the dynamics of nuclear matter relevant to the…
Cluster and hypernuclei production in heavy-ion collisions is presently under active experimental and theoretical investigation. Since clusters are weekly bound objects, their production is very sensitive to the dynamical evolution of the…
Ab initio molecular dynamics (AIMD) is a powerful tool to predict properties of molecular and condensed matter systems. The quality of this procedure is based on accurate electronic structure calculations. The development of quantum…
The Homotopy Analysis Method (HAM) is a widely used analytical approach for solving nonlinear problems, yet its theoretical foundation lacks rigorous justification, and its intrinsic correlation with perturbation theory remains ambiguous,…
We propose a phenomenological approach to examine the role of short- and long-range nucleon-nucleon correlations in the quenching of single-particle strength in atomic nuclei and their evolution in asymmetric nuclei and neutron matter.…
We present a concurrent Monte Carlo (MC) - molecular dynamics (MD) approach to modeling of matter response to excitation of its electronic system. The two methods are combined on-the-fly at each time step in one code, TREKIS-4. The MC model…
Rigid bodies, made of smaller composite beads, are commonly used to simulate anisotropic particles with molecular dynamics or Monte Carlo methods. To accurately represent the particle shape and to obtain smooth and realistic effective pair…
Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational…
There is growing evidence that high-energy scattering processes involving nuclei can offer unique insights into the many-body correlations present in nuclear ground states, in particular those of deformed nuclei. These processes involve,…
Accurately describing strong electron correlation in complex systems remains a prominent challenge in computational chemistry as near-term quantum algorithms treating total correlation often require prohibitively deep circuits. Here we…
We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…