Related papers: Accurate atomic quantum defects from particle-part…
We make use of a subtraction procedure, introduced to overcome double--counting problems in beyond--mean--field theories, in the second random--phase--approximation (SRPA) for the first time. This procedure guarantees the stability of SRPA…
The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…
High-fidelity entangling quantum gates based on Rydberg interactions are required for scalable quantum computing with neutral atoms. Their realization, however, meets a major stumbling block -- the motion-induced dephasing of the transition…
We developed an efficient active-space particle-particle random phase approximation (ppRPA) approach to calculate accurate charge-neutral excitation energies of molecular systems. The active-space ppRPA approach constrains both indexes in…
We have calculated the strength distributions of the dipole response in spherical nuclei, ranging all over the periodic table. The calculations were performed within two microscopic models: the discretized quasiparticle random phase…
Self-consistent correlation potentials for H$_2$ and LiH for various inter-atomic separations are obtained within the random phase approximation (RPA) of density functional theory. The RPA correlation potential shows a peak at the bond…
The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a…
We consider a general problem of inelastic collision of particles interacting with power-law potentials. Using quantum defect theory we derive an analytical formula for the energy-dependent complex scattering length, valid for arbitrary…
Far-off-resonant pulsed laser fields produce negligible excitation between two atomic states but may induce considerable phase shifts. The acquired phases are usually calculated by using the adiabatic-elimination approximation. We analyze…
A relativistic mean field description of collective excitations of atomic nuclei is studied in the framework of a fully self-consistent relativistic random phase approximation (RRPA). In particular, results of RRPA calculations of multipole…
We investigate the applicability of finite temperature random phase approximation (RPA) using a solvable Lipkin model. We show that the finite temperature RPA reproduces reasonably well the temperature dependence of total strength, both for…
Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and…
Scalable quantum computing is based on realizable accurate quantum gates. For neutral atoms, it is an outstanding challenge to design a high-fidelity two-qubit entangling gate without resorting to difficult techniques like shaping laser…
Rydberg atoms provide a powerful platform for exploring strongly interacting quantum systems, both in free space and in structured electromagnetic environments, with growing applications in quantum technology. Accurately modeling their…
We establish a formal connection between the particle-particle (pp) random phase approximation (RPA) and the ladder channel of the coupled cluster doubles (CCD) equations. The relationship between RPA and CCD is best understood within a…
We present an implementation of the optimised effective potential (OEP) scheme for the exact-exchange (EXX) and random phase approximation (RPA) energy functionals and apply these methods to a range of bulk materials. We calculate the…
We present a low-scaling algorithm for the random phase approximation (RPA) with \textbf{k}-point sampling in the framework of tensor hypercontraction (THC) for electron repulsion integrals (ERIs). The THC factorization is obtained via a…
We present an analytical proof and numerical demonstrations of the equivalence of the correlation energy from particle-particle random phase approximation (pp-RPA) and ladder-couple-cluster-doubles (ladder-CCD). These two theories reduce to…
The direct ring coupled-cluster doubles (drCCD)-based random phase approximation (RPA) has provided an attractive framework for the development and application of RPA-related methods. However, a potential unphysical solution issue recently…
The motion-induced dephasing is a severe problem that limits the accuracy of a quantum control process by using external laser fields in neutral Rydberg atoms. This dephasing is a major issue that limits the realizable fidelity of a quantum…