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The parametric deformations of quasienergies and eigenvectors of unitary operators are applied to the design of quantum adiabatic algorithms. The conventional, standard adiabatic quantum computation proceeds along eigenenergies of…
Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calculations of conditional probabilities (CP-DFT). Simple CP…
Adiabatic techniques are well known tools in multi-level electron systems to transfer population between different states with high fidelity. Recently it has been realised that these ideas can also be used in ultra-cold atom systems to…
This article is a pedagogical introduction to density-functional tight-binding (DFTB) method. We derive it from the density-functional theory, give the details behind the tight-binding formalism, and give practical recipes for…
We formulate a rigorous method for calculating a nonadiabatic (frequency-dependent) exchange-correlation (XC) kernel required for correct description of both equilibrium and nonequilibrium properties of strongly correlated systems within…
The short- and intermediate-distance behaviour of the hybrid adiabatic potentials is calculated in the framework of the QCD string model. The calculations are performed with the inclusion of Coulomb force. Spin-dependent force and the…
Many recent applications of time-dependent density functional theory begin in an initially excited state, and propagate it using an adiabatic approximation for the exchange-correlation potential. This however inserts the excited-state…
DFT calculations have become widespread in both chemistry and materials, because they usually provide useful accuracy at much lower computational cost than wavefunction-based methods. All practical DFT calculations require an approximation…
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale junctions under arbitrary time dependent external potentials. In…
The adiabatic approximation in open systems is formulated through the effective Hamiltonian approach. By introducing an ancilla, we embed the open system dynamics into a non-Hermitian quantum dynamics of a composite system, the adiabatic…
Entangled states of two ions are realized by using an adiabatic process. Based on the proposal by Linington and Vitanov, we have generated Dicke states in optical qubits of two $^{40}$Ca$^+$ ions by applying frequency-chirped optical pulses…
We investigate microscopically the tunneling dynamics in spontaneous fission of atomic nuclei. To this end, we employ a schematic solvable model with a pairing-plus-quadrupole interaction. The spontaneous decay of a system is simulated by…
Recently there have been some controversies about the criterion of the adiabatic approximation. It is shown that an approximate diagonalization of the effective Hamiltonian in the second quantized formulation gives rise to a reliable and…
While it is well-known that every nearly-periodic Hamiltonian system possesses an adiabatic invariant, extant methods for computing terms in the adiabatic invariant series are inefficient. The most popular method involves the heavy…
We formulate a hyperspherical approach within standard configuration interaction calculations aiming at a description of large-scale dynamics of $N$-particle system. The channel wave function and the adiabatic channel energy are determined…
The crucial step in density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) is to decide whether the density produced by the density functional for a specific calculation is erroneous and hence should be replaced by, in this…
Adiabatic dressed state potentials are created when magnetic sub-states of trapped atoms are coupled by a radio frequency field. We discuss their theoretical foundations and point out fundamental advantages over potentials purely based on…
The adiabatic approximation exhibits wide applicability in quantum mechanics, providing a simple approach for nontransitional dynamics in quantum systems governed by slowly varying time-dependent Hamiltonians. However, the standard…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
It is shown that the DFT exchange and correlation functionals satisfy an expression that couples exchange and correlation functionals and functional derivatives evaluated at three different densities and for two particle numbers. This…