We introduce a discrete-time variational principle inspired by the quantum clock originally proposed by Feynman and use it to write down quantum evolution as a ground-state eigenvalue problem. The construction allows one ...

The electron–vibration coupling in a family of silyl end-capped oligothienoacenes is investigated on the basis of a joint experimental and theoretical study using UV–vis absorption and emission spectroscopies and density ...

We present a theoretical model for the study of exciton dynamics in J-aggregated monolayers of fluorescent dyes. The excitonic evolution is described by a Monte-Carlo wave function approach which allows for a unified ...

We present a detailed theoretical study of the transfer of electronic excitation energy through the Fenna−Matthews−Olson (FMO) pigment−protein complex, using the newly developed modified scaled hierarchical approach (Shi, ...

In this article, we prove the one-to-one correspondence between vector potentials and particle and current densities in the context of master equations with arbitrary memory kernels, therefore extending time-dependent ...

Recently, an optimum mobility of \(8.3 cm^2/(Vs)\) has been measured for single-crystal organic field-effect transistors based on the dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]-thiophene (DNTT) molecule. Here, on the basis of ...

In its original formulation, TDDFT addresses the isolated dynamics of electronic systems evolving unitarily (Runge and Gross 1984). However, there exist many situations in which the electronic degrees of freedom are not ...

Raman signals from molecules adsorbed on a noble metal surface are enhanced by many orders of magnitude due to the plasmon resonances of the substrate. Additionally, the enhanced spectra are modified compared to the spectra ...

An enormous number of model chemistries are used in computational chemistry to solve or approximately solve the Schr odinger equation; each with their own drawbacks. One key limitation is that the hardware used in ...