Related papers: Effective non-adiabatic Hamiltonians for the quant…
We derive an electron-vibration model Hamiltonian in a quantum chemical framework, and explore the extent to which such a Hamiltonian can capture key effects of nonadiabatic dynamics. The model Hamiltonian is a simple two-body operator, and…
We present a non-perturbative framework for deriving effective Hamiltonians that describe low-energy excitations in quantum many-body systems. The method combines block diagonalization based on the Cederbaum--Schirmer--Meyer transformation…
Several completely integrable, indeed solvable, Hamiltonian many-body problems are exhibited, characterized by Newtonian equations of motion ("acceleration equal force"), with linear and cubic forces, in N-dimensional space (N being an…
We give a new reduction of a general diatomic molecular Hamiltonian, without modifying it near the collision set of nuclei. The resulting effective Hamiltonian is the sum of a smooth semiclassical pseudodifferential operator (the…
We construct explicit bound state wave functions and bound state energies for certain $N$--body Hamiltonians in one dimension that are analogous to $N$--electron Hamiltonians for (three-dimensional) atoms and monatomic ions.
We derive an explicit Hamiltonian for copying the basis up and down states of a quantum two-state system - a qubit - onto n "copy" qubits initially all prepared in the down state. In terms of spin components, for spin-1/2 particle spin…
The capabilities of the functional-analytic and of the functional-integral approach for the construction of the Hamiltonian as a self-adjoint operator on Hilbert space are compared in the context of non-relativistic quantum mechanics.…
We propose a novel non-Hermitian adiabatic quantum optimization algorithm. One of the new ideas is to use a non-Hermitian auxiliary "initial'' Hamiltonian that provides an effective level repulsion for the main Hamiltonian. This effect…
Effective Hamiltonians are often used in quantum physics, both in time dependent and time independent contexts. Analogies are drawn between the two usages, the discussion framed particularly for the geometric phase of a time-dependent…
We derive the Hamiltonian in the rotating frame for NMR quantum computing with homonucleus molecules as its computational resource. The Hamiltonian thus obtained is different from conventional Hamiltonians that appear in literature. It is…
We derive the effective Hamiltonian for a quantum system constrained to a submanifold (the constraint manifold) of configuration space (the ambient space) in the asymptotic limit where the restoring forces tend to infinity. In contrast to…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
We develop a phase-space electronic structure theory of molecules in magnetic fields. For a system of electrons in a magnetic field with vector potential $\bf{A}(\hat{\bf{r}})$, the usual Born-Oppenheimer Hamiltonian is the sum of the…
Keeping in view the ordering ambiguity that arises due to the presence of position-dependent effective mass in the kinetic energy term of the Hamiltonian, a general scheme for obtaining algebraic solutions of quantum mechanical systems with…
Within the post Newtonian framework the fully reduced Hamiltonian (i.e., with eliminated spin supplementary condition) for the next-to-leading order spin-squared dynamics of general compact binaries is presented. The Hamiltonian is…
Coherent state functional integral for the minisuperspace model of loop quantum cosmology is studied. By the well-established canonical theory, the transition amplitude in the path integral representation of loop quantum cosmology with…
A first principles quantum formalism to describe the non-adiabatic dynamics of electrons and nuclei based on a second quantization representation (SQR) of the electronic motion combined with the usual representation of the nuclear…
We show how to perform universal Hamiltonian and adiabatic computing using a time-independent Hamiltonian on a 2D grid describing a system of hopping particles which string together and interact to perform the computation. In this…
Nonadiabatic corrections in molecules composed of a few atoms are considered. It is demonstrated that a systematic perturbative expansion around the adiabatic solution is possible, with the expansion parameter being the electron-nucleus…
After analyzing Dirac's equation, one can suggest that a well-known quantum-mechanical momentum operator is associated with relativistic momentum, rather than with non-relativistic one. Consideration of relativistic energy and momentum…