Related papers: Range-separated density-functional theory applied …
We present a density functional scheme for calculating the pair density (PD) by means of the correlated wave function. This scheme is free from both of problems related to PD functional theory, i.e., (a) the need to constrain the…
The aim of this thesis is to systematically and consistently study strongly coupled bosonic and fermionic conformal field theories using the large quantum number expansion. The idea behind it is to study sectors of conformal field theories…
In [Phys. Rev. B 107, 094433 (2023)], Deng et al. have proposed an electron-muon correlation functional within the context of the two-component density functional theory (TC-DFT) for crystals/molecules containing positively charged muons.…
Magnetic systems with frustration often have large classical degeneracy. We show that their low-energy physics can be understood as dynamics within the space of classical ground states. We demonstrate this mapping in a family of quantum…
The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…
Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…
We study a class of nonlocal conformal field theories in two dimensions which are obtained as deformations of the Virasoro minimal models. The construction proceeds by coupling a relevant primary operator $\phi_{r,s}$ of the $m$-th minimal…
Three fundamental segregation and pattern formation processes are known in granular mixtures in a rotating cylindrical drum: radial segregation, axial banding, and coarsening of the band pattern. While the mechanism for the first effect is…
We provide a rigorous derivation of a class of double-hybrid approximations, combining Hartree-Fock exchange and second-order Moller-Plesset correlation with a semilocal exchange-correlation density functional. These double-hybrid…
A combined density and first-order reduced-density-matrix (1RDM) functional method is proposed for the calculation of potential energy curves (PECs) of molecular multibond dissociation. Its 1RDM functional part, a pair density functional,…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
Diffusive transport in many complex systems features a crossover between anomalous diffusion at short times and normal diffusion at long times. This behavior can be mathematically modeled by cutting off (tempering) beyond a mesoscopic…
Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…
We calculate the universal spectrum of trimer and tetramer states in heteronuclear mixtures of ultracold atoms with different masses in the vicinity of the heavy-light dimer threshold. To extract the energies, we solve the three- and…
Divergence measures have a long association with statistical inference, machine learning and information theory. The density power divergence and related measures have produced many useful (and popular) statistical procedures, which provide…
We reexamine the recently introduced basis-set correction theory based on density-functional theory consisting in correcting the basis-set incompleteness error of wave-function methods using a density functional. We use a one-dimensional…
A non-perturbative method which can go beyond the weak coupling perturbation theory is introduced. Essential idea is to formulate a set of exact differential equations as a function of the coupling strength $g$. Unlike other resummation in…
To better understand the thermochemical kinetics and mechanism of a specific chemical reaction, an accurate estimation of barrier heights (forward and reverse) and reaction energy are vital. Due to the large size of reactants and transition…
The theory of first order density-driven phase transitions with frustration due to the long range Coulomb (LRC) interaction develop on paper I of this series is applied to the following physical systems: i) the low density electron gas ii)…
The two point angular correlation function is an excellent measure of structure in the universe. To extract from it the three dimensional power spectrum, one must invert Limber's Equation. Here we perform this inversion using a Bayesian…