Atomic and Molecular Clusters
The advancement of liquid phase electron beam induced deposition has enabled an effective direct-write approach for functional nanostructure synthesis with the possibility of three-dimensional control of morphology. For formation of a…
We theoretically calculate the electron impact partial and total ionization cross sections of R-carvone $(\mathrm{C_{10}H_{14}O})$, 2-butanol $(\mathrm{C_{4}H_{10}O})$, imidazole $(\mathrm{C_3H_4N_2})$ and 2-nitroimidazole…
We explore the energy transfer dynamics in an array of two chains of identical rigid interacting dipoles. A crossover between two different ground state (GS) equilibrium configurations is observed with varying distance between the two…
The O-D stretch fundamental region of the deuterated water dimer, (D2O)2, is further studied using a pulsed supersonic slit jet and a tunable optical parametric oscillator infrared source. The previously unobserved acceptor symmetric O-D…
Fragment signals in ordinary mass spectra carry no label to identify their parent molecule. By correlating mass signals with rotational Raman spectra, we created a method to label each ion signal with the spectroscopic fingerprint of its…
Plane-wave electrons undergo momentum transfer as they scatter off a target in overlapping spherical waves. The transferred momentum leads to target structural information to be encoded in angle and energy differential scattering. For…
Alkali trimers, Ak$_3$, located on the surface of He nanodroplets are triply ionized following multiphoton absorption from an intense femtosecond laser pulse leading to fragmentation into three correlated Ak$^+$ ions. Combining the…
We study the role of the inter- and intraband current in the laser interaction with the bi-chromatic quasi-periodic crystals. The interaction dynamics are simulated by solving the time-dependent Schr\"odinger equation in the $k$-space, and…
A sample mixture of alkali homonuclear dimers, Ak$_2$ and Ak$^{\prime}_2$ and heteronuclear dimers, AkAk$^{\prime}$, residing on the surface of helium nanodroplets are Coulomb exploded into pairs of atomic alkali cations,…
We present an improved action for renormalizable effective field theories (EFTs) of systems near the two-body unitarity limit. The ordering of EFT interactions is constrained, but not entirely fixed, by the renormalization group. The…
Helium nanodroplets ("HNDs") are widely used for forming tailor-made clusters and molecular complexes in a cold, transparent, and weakly-interacting matrix. Characterization of embedded species by mass spectrometry is often complicated by…
The aggregation of particles in the free molecular regime is determined approximately for situations with a high degree of translational energy equilibration. The mean particle sizes develop linearly in time. Scaling relations are used to…
Exploring the molecular fragmentation dynamics induced by low-energy electrons offers compelling insights into the complex interplay between the projectile and target. In this study, we investigate the phenomenon of dissociative electron…
The multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the conventional electronic exchange-correlation…
We introduce a neural network-based approach for modeling wave functions that satisfy Bose-Einstein statistics. Applying this model to small $^4He_N$ clusters (with N ranging from 2 to 14 atoms), we accurately predict ground state energies,…
Sequential ionization of fullerene cluster ions (C$_{60}$)$_{n}^{+}$ within multiply-charged helium nanodroplets leads to the intriguing phenomenon of forming and stabilizing doubly- and triply-charged fullerene oligomers. Surprisingly, we…
We theoretically investigate the fluorescence intensity correlation (FIC) of Ar clusters and Mo-doped iron oxide nanoparticles subjected to intense, femtosecond and sub-femtosecond XFEL pulses for high-resolution and elemental contrast…
XUV fluorescence spectroscopy provides information on energy absorption and dissipation processes taking place in the interaction of helium clusters with intense femtosecond laser pulses. The present experimental results complement the…
Physical mechanisms of structural transformations in deposited metallic clusters exposed to an electron beam of a transmission electron microscope (TEM) are studied theoretically and computationally. Recent TEM experiments with…
Gaussian Process Regression-based Gaussian Approximation Potential has been used to develop machine-learned interatomic potentials having density-functional accuracy for free sodium clusters. The training data was generated from a large…