Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational spectra of ...

... Accurate theoretical models of surface chemistry, using quantum mechanics (QM), do not exist because of the huge computational cost of solving ...

Very accurate and stable time tagging capabilities are fundamental for Quantum Astronomy and Quantum Key Distribution. The main task of Quantum Astronomy is to find particular signatures of different astrophysical emission mechanisms or scattering process...

Mar 1, 2011 ... Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational ...

Mar 1, 2011 ... Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational ...

Mar 1, 2011 ... Hybrid (quantum mechanics/molecular mechanics) theoretical techniques will be discussed that may allow to obtain accurate vibrational ...

This web page is the home for the Quantum Mechanics Conceptual Survey (QMCS). The goal of this assessment is to provide an accurate measure of students' understanding of fundamental concepts in quantum mechanics. The QMCS is inspired by the many carefully researched and validated tests of ...

The almost exponential increase in computer power over the last few decades has opened up the venue for increasingly more advanced and accurate computer simulations. As little as ten years ago, quantum mechanical calculations were restricted to prediction...

We examine the creation of electron-positron pairs in a very strong force field. Using numerical solutions to quantum field theory we calculate the spatial and momentum probability distributions for the created particles. A comparison with classical mechanical phase space calculations suggests that despite the fully relativistic and ...

The Gaussian effective potential (GEP) is an approximation to quantum mechanics that semiquantitatively estimates quantum effects such as zero-point fluctuations and tunneling. We show how to use the GEP to compute semiclassical eigenvalues. It is well known that the GEP provides very accurate variational ...

An accurate computational method for the one-dimensional quantum Hamilton-Jacobi equation is presented. The Moebius propagation scheme, which can accurately pass through singularities, is used to numerically integrate the quantum Hamilton-Jacobi equation for the quantum momentum function. Bound ...

An accurate computational method for the one-dimensional quantum Hamilton-Jacobi equation is presented. The Mobius propagation scheme, which can accurately pass through singularities, is used to numerically integrate the quantum Hamilton-Jacobi equation for the quantum momentum function. Bound ...

We propose a method for incorporating nuclear quantum effects in transition path sampling studies of systems that consist of a few degrees of freedom that must be treated quantum mechanically, while the rest are classical-like. We used the normal mode centroid method to describe the quantum subsystem, which is a ...