Related papers: GW100: A Slater Type Orbital Perspective
Polar molecules are desirable systems for quantum simulations and cold chemistry. Molecular ions are easily trapped, but a bias electric field applied to polarize them tends to accelerate them out of the trap. We present a general solution…
Inspiraling supermassive black hole binary systems with high orbital eccentricity are important sources for space-based gravitational wave (GW) observatories like the Laser Interferometer Space Antenna (LISA). Eccentricity adds orbital…
We present a plane wave implementation of the G0W0 approximation within the projector augmented wave method code GPAW. The computed band gaps of ten bulk semiconductors and insulators deviate on average by 0.2 eV (~ 5 %) from the…
The perovskite oxides are known to be susceptible to structural distortions over a long wavelength when compared to their parent cubic structures. From an ab initio simulation perspective, this requires accurate calculations including many…
In an attempt to improve on our earlier W3 theory [J. Chem. Phys. {\bf 120}, 4129 (2004)] we consider such refinements as more accurate estimates for the contribution of connected quadruple excitations ($\hat{T}_4$), inclusion of connected…
In a recent study by Cole et al., it was concluded that QRPA calculations show larger deviations and overestimate the total experimental Gamow-Teller (GT) strength. It was also concluded that QRPA calculated electron capture rates exhibit…
Slater basis functions have desirable properties that can improve electronic structure simulations, but improved numerical integration methods are needed. This work builds upon the SlaterGPU library for evaluation of Hamiltonian matrix…
In this critical compilation, all known to us experimental data on the spectrum of neutral carbon were methodically evaluated and supplemented by parametric calculations with Cowan's code. The sources of experimental data vary from…
Parity violation is expected to generate an asymmetry between the amplitude of left and right-handed gravitational-wave modes which leads to a circularly polarized stochastic gravitational-wave background (SGWB). Due to the three…
Based on the distribution of tidal deformabilities and component masses of binary neutron star merger GW170817, the parametric equation of states (EOS) are employed to probe the nuclear symmetry energy and the properties of neutron star. To…
We present new measurements of the cosmic microwave background (CMB) polarization from the final season of the Cosmic Anisotropy Polarization MAPper (CAPMAP). The data set was obtained in winter 2004-2005 with the 7 m antenna in Crawford…
Finite-range numerical atomic orbitals are the basis functions of choice for several first principles methods, due to their flexibility and scalability. Generating and testing such basis sets, however, remains a significant challenge for…
We obtain the bounds on arbitrary linear combinations of operators of dimension 6 in the Standard Model. We consider a set of 21 flavor and CP conserving operators. Each of our 21 operators is tightly constrained by the standard set of…
A means to take advantage of molecular similarity to lower the computational cost of electronic structure theory is proposed, in which parameters are embedded into a low-cost, low-level (LL) ab initio theory and adjusted to obtain agreement…
High-precision electroweak experiments such as parity-violating Moller scattering can provide indirect access to physics at multi-TeV scales and play an important complementary role to the LHC research program. However, before physics of…
The radial overlap correction, $\delta_{RO}$ is re-examined for 30 superallowed $\beta$ decays using the shell model with Hartree-Fock (HF) radial wave functions. Our calculation is based on the Skyrme interaction including Coulomb,…
The $GW$ approach of many-body perturbation theory (MBPT) has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by…
Measurements of the polarized radiation often reveal specific physical properties of emission sources, such as strengths and orientations of magnetic fields offered by synchrotron radiation and Zeeman line emission, and the electron density…
Constraining the nuclear matter equation of state (EOS) beyond saturation density is a central goal of nuclear physics and astrophysics. While the relativistic Brueckner-Hartree-Fock (RBHF) theory, an \textit{ab initio,} non-perturbative…
The molar spin susceptibilities $\chi(T)$ of Na-TCNQ, K-TCNQ and Rb-TCNQ(II) are fit quantitatively to 450 K in terms of half-filled bands of three one-dimensional Hubbard models with extended interactions using exact results for finite…