We develop a Born-Oppenheimer-type formalism for the description of quantum thermal transport across hybrid nanoscale objects. Our formalism is suitable for treating heat transfer in the off-resonant regime, where, e.g., the relevant vibrational modes of the interlocated molecule are high relative to typical bath frequencies, and at low temperatures when tunneling effects dominate. A general ex...

Jane Marion Oppenheimer [5], embryologist and historian of science and medicine, was born on 19 September 1911 in Philadelphia, Pennsylvania, to Sylvia Stern and James H. Oppenheimer. After studying zoology at Bryn Mawr College [6], Oppenheimer received her AB degree in 1932. Oppenheimer received her PhD in embryology [7] at Yale University [8] in 1935 and worked as a research fellow from 1935?...

On March 4, Dr. Oppenheimer replied to General Nichols’ letter of December 23, 1953. The complete text is printed below.

This thesis consists of four papers that concern error estimates for the BornOppenheimer molecular dynamics, and adaptive algorithms for the Car-Parrinello and Ehrenfest molecular dynamics. In Paper I, we study error estimates for the Born-Oppenheimer molecular dynamics with nearly crossing potential surfaces. The paper first proves an error estimate showing that the difference of the values of...

Extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] is formulated for general Hohenberg-Kohn density-functional theory and compared with the extended Lagrangian framework of first principles molecular dynamics by Car and Parrinello [Phys. Rev. Lett. 55, 2471 (1985)]. It is shown how extended Lagrangian Born-Oppenheimer molecular dyna...

Numerical studies of the vector electromagnetic fields in plano-concave microresonators have recently revealed that a photonic analogue of spin-orbit coupling can occur in paraxial geometries. Laguerre-Gauss modes with circular polarization are then no longer the correct eigenstates, even if the resonator is axially symmetric. A crucial role in this effect is played by the presence of a boundar...