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Related publications (29)

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Michele Ceriotti, David Mark Wilkins, Max David Veit, Yang Yang

The molecular dipole moment (mu) is a central quantity in chemistry. It is essential in predicting infrared and sum-frequency generation spectra as well as induction and long-range electrostatic interactions. Furthermore, it can be extracted directly-via t ...

AMER INST PHYSICS2020

Instantaneous radiation from time-varying electric and magnetic dipoles

Romain Christophe Rémy Fleury, Mohammad Sajjad Mirmoosa

Radiation from magnetic and electric dipole moments is a key subject in the theory of electrodynamics. Although people treat the problem thoroughly in the context of the frequency domain, the problem is still not well understood in the context of the time ...

2020

Optimal Frequency of Operation and Radiation Efficiency Limitations of Implantable Antennas

Anja Skrivervik, Denys Nikolayev, Zvonimir Sipus

Fundamental limits on radiation performance of implantable antennas serve as the design quality gauge, facilitate the choice of the antenna type, and provide simple design rules to maximize the radiation performance. This study obtains the limits using two ...

IEEE2020

Perturbative approach to tunneling and quantum interferences in spin clusters

Frédéric Mila, Ivo Aguiar Maceira

Collective tunneling is a ubiquitous phenomenon in finite-size spin clusters that shows up in systems as diverse as molecular magnets or spin clusters adsorbed at surfaces. The basic problem we explore is to understand how small flipping terms can cooperat ...

2020

Studying the different coupling regimes for a plasmonic particle in a plasmonic trap

Olivier Martin, Jeonghyeon Kim

Plasmonic antennas improve the stiffness and resolution of optical tweezers by producing a strong near-field. When the antenna traps metallic objects, the optically-resonant object affects the near-field trap, and this interaction should be examined to est ...

2019

Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

Michele Ceriotti, David Mark Wilkins, Andrea Grisafi, Yang Yang

While density functional theory (DFT) is often an accurate and efficient methodology for evaluating molecular properties such as energies and multipole moments, this approach often yields larger errors for response properties such as the dipole polarizabil ...

2019

Accurate molecular polarizabilities with coupled cluster theory and machine learning

Michele Ceriotti, David Mark Wilkins, Andrea Grisafi, Yang Yang

The molecular dipole polarizability describes the tendency of a molecule to change its dipole moment in response to an applied electric field. This quantity governs key intra- and intermolecular interactions, such as induction and dispersion; plays a vital ...

2019

Fast and Sensitive Detection of Paramagnetic Species Using Coupled Charge and Spin Dynamics in Strongly Fluorescent Nanodiamonds

Claudia Esther Avalos

Sensing of a few unpaired electron spins, such as in metal ions and radicals, is a useful but difficult task in nanoscale physics, biology, and chemistry. Single negatively charged nitrogen-vacancy (NV-) centers in diamond offer high sensitivity and spatia ...

2019

Radiation Performance of Highly Miniaturized Implantable Devices

Denys Nikolayev

Miniature wireless implantable bioelectronics provide powerful capabilities for biotelemetry, therapeutics, and neural interfacing. These technologies rely on antennas to communicate with external receivers, yet existing systems suffer from poor radiation ...

IEEE2019

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