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Register a new userAdiabatic Connection in the Low-Density Limit
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In density functional theory (DFT), the exchange-correlation functional can be exactly expressed by the adiabatic connection integral. It has been noticed that as lambda goes to infinity, the lambda^(-1) term in the expansion of W(lambda) vanishes. We provide a simple but rigorous derivation to this exact condition in this work. We propose a simple parametric form for the integrand, satisfying this condition, and show that it is highly accurate for weakly-correlated two-electron systems.
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Modern density functional theory (DFT) calculations employ the Kohn-Sham (KS) system of non-interacting electrons as a reference, with all complications buried in the exchange-correlation energy (Exc). The adiabatic connection formula gives an exact expression for Exc. We consider DFT calculations that instead employ a reference of strictly-correlated electrons. We define a decorrelation energy that relates this reference to the real system, and derive the corresponding adiabatic connection formula. We illustrate this theory in three situations, namely the uniform electron gas, Hookes atom, and the stretched hydrogen molecule. The adiabatic connection for strictly-correlated electrons provides an alternative perspective for understanding density functional theory and constructing approximate functionals.
An adiabatic-connection fluctuation-dissipation theorem approach based on a range separation of electron-electron interactions is proposed. It involves a rigorous combination of short-range density functional and long-range random phase approximations. This method corrects several shortcomings of the standard random phase approximation and it is particularly well suited for describing weakly-bound van der Waals systems, as demonstrated on the challenging cases of the dimers Be$_2$ and Ne$_2$.
SrTiO$_3$ exhibits superconductivity for carrier densities $10^{19}-10^{21}$ cm$^{-3}$. Across this range, the Fermi level traverses a number of vibrational modes in the system, making it ideal for studying dilute superconductivity. We use high-resolution planar-tunneling spectroscopy to probe chemically-doped SrTiO$_3$ across the superconducting dome. The over-doped superconducting boundary aligns, with surprising precision, to the Fermi energy crossing the Debye energy. Superconductivity emerges with decreasing density, maintaining throughout the Bardeen-Cooper-Schrieffer (BCS) gap to transition-temperature ratio, despite being in the anti-adiabatic regime. At lowest superconducting densities, the lone remaining adiabatic phonon van Hove singularity is the soft transverse-optic mode, associated with the ferroelectric instability. We suggest a scenario for pairing mediated by this mode in the presence of spin-orbit coupling, which naturally accounts for the superconducting dome and BCS ratio.
We derive a connection between the intrinsic tribological properties and the electronic properties of a solid interface. In particular, we show that the adhesion and frictional forces are dictated by the electronic charge redistribution occurring due to the relative displacements of the two surfaces in contact. We define a figure of merit to quantify such charge redistribution and show that simple functional relations hold for a wide series of interactions including metallic, covalent and physical bonds. This suggests unconventional ways of measuring friction by recording the evolution of the interfacial electronic charge during sliding. Finally, we explain that the key mechanism to reduce adhesive friction is to inhibit the charge flow at the interface and provide examples of this mechanism in common lubricant additives.
We review the properties of neutron matter in the low-density regime. In particular, we revise its ground state energy and the superfluid neutron pairing gap, and analyze their evolution from the weak to the strong coupling regime. The calculations of the energy and the pairing gap are performed, respectively, within the Brueckner--Hartree--Fock approach of nuclear matter and the BCS theory using the chiral nucleon-nucleon interaction of Entem and Machleidt at N$^3$LO and the Argonne V18 phenomenological potential. Results for the energy are also shown for a simple Gaussian potential with a strength and range adjusted to reproduce the $^1S_0$ neutron-neutron scattering length and effective range. Our results are compared with those of quantum Monte Carlo calculations for neutron matter and cold atoms. The Tan contact parameter in neutron matter is also calculated finding a reasonable agreement with experimental data with ultra-cold atoms only at very low densities. We find that low-density neutron matter exhibits a behavior close to that of a Fermi gas at the unitary limit, although, this limit is actually never reached. We also review the properties (energy, effective mass and quasiparticle residue) of a spin-down neutron impurity immersed in a low-density free Fermi gas of spin-up neutrons already studied by the author in a recent work where it was shown that these properties are very close to those of an attractive Fermi polaron in the unitary limit.
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