Exact and Optimal Quantum Mechanics/Molecular Mechanics Boundaries
نویسندگان
چکیده
منابع مشابه
Exact and Optimal Quantum Mechanics/Molecular Mechanics Boundaries.
Motivated by recent work in density matrix embedding theory, we define exact link orbitals that capture all quantum mechanical (QM) effects across arbitrary quantum mechanics/molecular mechanics (QM/MM) boundaries. Exact link orbitals are rigorously defined from the full QM solution, and their number is equal to the number of orbitals in the primary QM region. Truncating the exact set yields a ...
متن کاملIs quantum mechanics exact?
We formulate physically motivated axioms for a physical theory which for systems with a finite number of degrees of freedom uniquely lead to quantum mechanics as the only nontrivial consistent theory. Complex numbers and the existence of the Planck constant common to all systems arise naturally in this approach. The axioms are divided into two groups covering kinematics and basic measurement th...
متن کاملExact uncertainty approach in quantum mechanics and quantum gravity
The assumption that an ensemble of classical particles is subject to nonclassical momentum fluctuations, with the fluctuation uncertainty fully determined by the position uncertainty, has been shown to lead from the classical equations of motion to the Schrödinger equation. This ‘exact uncertainty’ approach may be generalised to ensembles of gravitational fields, where nonclassical fluctuations...
متن کاملIntegrable quantum field theory with boundaries: the exact g-function
The g-function was introduced by Affleck and Ludwig in the context of critical quantum systems with boundaries. In the framework of the thermodynamic Bethe ansatz (TBA) method for relativistic scattering theories, all attempts to write an exact integral equation for the off-critical version of this quantity have, up to now, been unsuccesful. We tackle this problem by using an n-particle cluster...
متن کاملQuantum Mechanics and the Mechanism of Sexual Reproduction
There are many claims that quantum mechanics plays a key role in the origin and/or operation of biological organisms. The mechanism of the meiosis, mitosis and gametes life cycle from the view-point of quantum for human has been represented. The quantum gates have been used to simulate these processes for the first time. The reason of several hundred sperms has been explained in the male too
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2014
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct500512f