The particle-particle random phase approximation (pp-RPA) has been used to investigate excitation problems in our recent paper [Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013)]. It has been shown to be capable of describing double, Rydberg, and charge transfer excitations, which are challenging for conventional time-dependent density functional theory (TDDFT). However, i...

The relationship between the random-phase-approximation (RPA) correlation energy and the continuous algebraic Riccati equation is examined and the importance of a stabilizing solution is emphasized. The criterion to distinguish this from non-stabilizing solutions can be used to ensure that physical, smooth potential energy surfaces are obtained. An implementation of analytic RPA molecular gradi...

The breathing-mode giant monopole resonance (GMR) is studied within the framework of the relativistic mean-field theory using the Generator Coordinate Method (GCM). The constrained incompressibility and the excitation energy of isoscalar giant monopole states are obtained for finite nuclei with various sets of Lagrangian parameters. A comparison is made with the results of nonrelativistic const...

Studies of compression modes of nuclei are of particular interest since their strength distributions, S(E), are sensitive to the value of the nuclear matter incompressibility coefficient, K [1]. At present, Hartree-Fock (HF) based random-phase-approximation(RPA) calculations for the isoscalar giant monopole resonance (ISGMR) reproduce the experimental data for effective interactions associated ...

Systematic studies of isotopic chains including nuclides from the proton to the neutron dripline are an ideal testing ground for nuclear structure theory. Results of Hartree{Fock calculations for magnesium and tin isotopes are discussed. Ground states and the multipole response of superheavy nuclei are investigated with HF and RPA calculations. Exploratory calculations for single nucleon transf...

The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calc...

We explore the ability of the recently established quasilocal density functional theory for describing the isoscalar giant monopole resonance. Within this theory we use the scaling approach and perform constrained calculations for obtaining the cubic and inverse energy weighted moments (sum rules) of the RPA strength. The meaning of the sum rule approach in this case is discussed. Numerical cal...

We investigate the possible signature of the presence of giant pairing states at excitation energy of about 10 MeV via two-particle transfer reactions induced by neutron-rich weakly-bound projectiles. Performing particle-particle RPA calculations on Pb and BCS+RPA calculations on Sn, we obtain the pairing strength distribution for two particles addition and removal modes. Estimates of two-parti...

Numerical calculations of relativistic effects on nuclear magnetic shielding constants sigma corresponding to all one-body operators obtained within a formalism developed in previous work were carried out. In this formalism, the elimination of small component scheme is applied to evaluate all quantities entering a four-component RSPT(2) expression of magnetic molecular properties. HX and CH3X (...