相关论文: Molecular orbitals and strong-field approximation

We present a detailed comparison of strong-field ionization of diatomic molecules and their companion atoms with nearly equal ionization potentials. We perform calculations in the length and velocity gauge formulations of the molecular…

We reply to the Comment of T. K. Kjeldsen and L. B. Madsen [e-print arXiv:physics/0508213] and acknowledge their criticism related to imperfect composition of our model 3sigma_g molecular state [V. I. Usachenko and S.-I. Chu, Phys. Rev. A…

The strong-field approximation can be and has been applied in both length gauge and velocity gauge with quantitatively conflicting answers. For ionization of negative ions with a ground state of odd parity, the predictions of the two gauges…

Estimating the relative alignment between the frontier molecular orbitals that dominates the charge transport through single-molecule junctions represents a challenge for theory. This requires approaches beyond the widely employed framework…

A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…

Rescattering electrons offer great potential as probes of molecular properties on ultrafast timescales. The most famous example is molecular tomography, in which high harmonic spectra of oriented molecules are mapped to ``tomographic…

We present a numerical study of the relation between the cosmic peculiar velocity field and the gravitational acceleration field. We show that on mildly non-linear scales (4-10 Mpc Gaussian smoothing), the distribution of the Cartesian…

We present a novel algorithm for (i) detecting approximate symmetries inherently present among spatially localized molecular orbitals and (ii) enforcing these in numerically exact manners by means of unitary optimization techniques. The…

Molecular dynamics (MD) simulations employing classical force fields constitute the cornerstone of contemporary atomistic modeling in chemistry, biology, and materials science. However, the predictive power of these simulations is only as…

The use of plane wave approximation in molecular orbital tomography via high-order harmonic generation has been questioned since it was proposed, owing to the fact that it ignores the essential property of the continuum wave function. To…

We investigate the applicability of the moduli space approximation in theories with unbroken non-Abelian gauge symmetries. Such theories have massless magnetic monopoles that are manifested at the classical level as clouds of non-Abelian…

In the recent work of Vanne and Saenz [Phys. Rev. A 75, 063403 (2007)] the quasistatic limit of the velocity gauge strong-field approximation describing the ionization rate of atomic or molecular systems exposed to linearly polarized laser…

We establish new results and introduce new methods in the theory of measurable orbit equivalence, using bounded cohomology of group representations. Our rigidity statements hold for a wide (uncountable) class of groups arising from negative…

We show an analogue of a theorem of An, Ghosh, Guan, and Ly on weighted badly approximable vectors for totally imaginary number fields. We show that for $G=\mathrm{SL}_2(\mathbb{C})\times\dots\times\mathrm{SL}_2(\mathbb{C})$ and $\Gamma<G$…

The perturbations of the hyperbolic motion of a test particle due to the general relativistic gravitoelectromagnetic Schwarzschild and Lense-Thirring components of the gravitational field of a rotating massive body are analytically worked…

The new combined formulas have been established for the complex and real rotation-angular functions arising in the evaluation of two-center overlap integrals over arbitrary atomic orbitals in molecular coordinate system. These formulas can…

Reporting extensions of a recently developed approach to density functional theory with correct long-range be-havior (Phys. Rev. Lett. 94, 043002 (2005)). The central quantities are a splitting functional gamma[n] and a complementary…

In the strong field molecular tunneling ionization theory of Tong et al. [Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic wavefunction of the molecular orbital from which the electron is removed. The orbital…

We develop a framework to describe a wide class of flat-band models, with and without a translational symmetry, by using "molecular orbitals" introduced in the prior work (HATSUGAI Y. and MARUYAMA I., \textit{EPL}, \textbf{95}, (2011)…

We extend an effective field theory developed to describe rotational bands in even-even nuclei to the odd-mass case. This organizes Bohr and Mottelson's treatment of a particle coupled to a rotor as a model-independent expansion in powers…