Related papers: Singlet Fission among two Single Molecules
Mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT) has recently emerged as an attractive electronic-structure method for studying photochemical processes, given that it bridges the computational efficiency of…
We present a generic theory of primary photoexcitations in low band gap donor-acceptor conjugated copolymers. Because of the combined effects of strong electron correlations and broken symmetry, there is considerable mixing between a…
We present a theoretical description of femtosecond laser induced dynamics of the hydrogen molecule and of singly ionised sodium dimers, based on a real-space, real-time, implementation of time-dependent density functional theory (TDDFT).…
High time cadence Spectro Polarimetry allows the feasibility of studying magnetic field evolution coupled with the plasma flows. Such a high cadence solar spectropolarimetry if developed will allow one to study magnetic field evolution in…
Organic light-emitting diodes (OLEDs) must be engineered to circumvent the efficiency limit imposed by the 3:1 ratio of triplet to singlet exciton formation following electron-hole capture. Here we show the spin nature of luminescent…
We extend the vibronic exciton theory introduced in our previous work to study singlet fission dynamics, in particular addressing recent indications of the importance of vibronic coupling in this process. A microscopic and non-perturbative…
Spin-entaglement has been proposed and extensively used in the case of correlated triplet pairs which are intermediate states in singlet fission process in select organic semiconductors. Here, we employ quantum process tomography of…
We present scanning near-field extinction spectra of single molecules embedded in a solid matrix. By varying the molecule-tip separation, we modify the line shape of the spectra, demonstrating the coherent nature of the interaction between…
We investigate the BCS pairing in a mixture of fermionic polar molecules with two different hyperfine states. We derive a set of coupled gap equations and find that this system supports both spin-singlet and -triplet BCS pairs. We also…
Molecular quantum sensors represent a promising frontier for the detection of nuclear magnetic resonance signals and alternating current magnetic fields at the nanoscale, potentially reaching single-proton sensitivity. Although the triplet…
The self-consistent theory of the fermion condensation, a specific phase transition which results in a rearrangement of the single particle degrees of freedom in strongly correlated Fermi systems is developed. Beyond the phase transition…
The photoinduced excited-state dynamics of the keto and enol forms of cytosine is investigated using ab initio surface hopping in order to understand the outcome of molecular beam femtosecond pump-probe photoionization spectroscopy…
A holy grail of photonics research is the realization of a laser that uses a single quantum emitter as the gain medium. Such a device would exhibit a plethora of new features, including lasing without a well-defined threshold and output…
Molecular triplet states can produce significant phosphorescence and act as a relay state for luminescence, such as in up-conversion processes. While this property makes triplet emitters interesting for organic light-emitting diodes…
Single molecule force spectroscopy reveals unfolding of domains in titin upon stretching. We provide a theoretical framework for these experiments by computing the phase diagrams for force-induced unfolding of single domain proteins using…
It has been roughly three decades since laser cooling techniques produced ultracold atoms, leading to rapid advances in a vast array of fields. Unfortunately laser cooling has not yet been extended to molecules because of their complex…
The CREMA collaboration is pursuing a measurement of the ground-state hyperfine splitting (HFS) in muonic hydrogen ($\mu$p) with 1 ppm accuracy by means of pulsed laser spectroscopy to determine the two-photon-exchange contribution with…
Singlet exciton fission is the spin-allowed generation of two triplet electronic excited states from a singlet state. Intramolecular singlet fission has been suggested to occur on individual carotenoid molecules within protein complexes,…
The process of dissociation for two hydrofluorocarbon molecules in low triplet states excited by electron impact in plasma is investigated by ab initio Molecular Dynamics (AIMD). The interest in dissociation of hydrofluorocarbons in plasma…
We show that a single photon pulse (SPP) incident on two interacting two-level atoms induces a transient entanglement force between them. After absorption of a multi-mode Fock state pulse, the time-dependent atomic interaction mediated by…