Related papers: Vibrational Quantum-State-Controlled Reactivity in…
We present a new algorithm for vibrational control in deuterium molecules that is feasible with current experimental technology. A pump mechanism is used to create a coherent superposition of the D2+ vibrations. A short, intense infrared…
Several alternative methods for description of interaction between rotation and vibration are compared and contrasted using hyper-spherical coordinates for a triatomic molecule. These methods differ by the choice of z-axis and by the…
Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…
The Hall-plateau width and the activation energy were measured in the bilayer quantum Hall state at filling factor \nu=2, 1 and 2/3, by changing the total electron density and the density ratio in the two quantum wells. Their behavior are…
The rotational excitation of the three asymmetric-top molecular ion isotopologues H$_2$O$^+$, HDO$^+$, and D$_2$O$^+$ is studied theoretically using a combined framework of electron-molecule R-matrix scattering theory, multichannel…
We observe and control a molecular vibrational wave packet in an electronically excited state of the neutral hydrogen molecule. In an extreme-ultraviolet (XUV) transient-absorption experiment we launch a vibrational wave packet in the $D…
The efficient initialization of a quantum system is a prerequisite for quantum technological applications. Here we show that several classes of quantum states of a harmonic oscillator can be efficiently prepared by means of a…
The end-to-end dynamics of the smallest energized Criegee intermediate, H$_2$COO, was characterized for vibrational excitation close to and a few kcal/mol above the barrier for hydrogen transfer. From an aggregate of at least 5 $\mu$s of…
We present a study on ion-atom-atom reaction A+A+B$^+$ in a wide range of systems and collision energies ranging from 100$~\mu$K to 10$^5~$K, analyzing the two possible products: molecules and molecular ions. The dynamics is performed via a…
Quantum coherent control of ultrafast bond making and the subsequent molecular dynamics is crucial for the realization of a new photochemistry, where a shaped laser field is actively driving the chemical system in a coherent way from the…
Many biological molecular motors and machines are driven by chemical reactions that occur in specific catalytic sites. We study whether the arrival of molecules to such an active site can be accelerated by the presence of a nearby inactive…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
An ab initio study of the electronic and spin configuration for the iron ion in the active center of the human hemoglobin molecule is presented. It is well known that the iron ion, being surrounded by the porphyrin ring and the ligands,…
For the cofactor-free 1-H-3-hydroxy-4-oxoquinaldine-2,4-dioxygenase (HOD), the dioxygen (O2) dependent steps are rate-limiting along with a spin state crossover to the singlet spin state. Here, the primary triplet O2 molecule activation on…
Electron-impact cross sections for the dissociation process of vibrationally excited He2+ molecular ion, as a function of the incident electron energy are calculated for the dissociative transition X2\Sigma+u \to A2\Sigma+g by using the…
We have studied the effect of resonant electronic state coupling on the formation of ultracold ground-state $^{85}$Rb$_2$. Ultracold Rb$_2$ molecules are formed by photoassociation (PA) to a coupled pair of $0_u^+$ states, $0_u^+(P_{1/2})$…
We describe how two vibrational degrees of freedom of a single trapped ion can be coupled through the action of suitably-chosen laser excitation. We concentrate on a two-dimensional ion trap with dissimilar vibrational frequencies in the x-…
Exploring inelastic and reactive collisions on the quantum level is a main goal of the developing field of ultracold chemistry. We present first experimental studies of inelastic collisions of metastable ultracold triplet molecules in the…
We present a new method for the generation of rotationally and vibrationally state-selected, translationally cold molecular ions in ion traps. Our technique is based on the state-selective threshold photoionization of neutral molecules…
We have reported the dependence of projectile mass along with the chemical reactivity and nonlinear effects on ion beam induced nano structure formation when 8 keV He1+, N1+, O1+, Ar1+ atomic ions and 16 keV N21+ and O21+ molecular ions are…