Spin Adapted Reduced Hamiltonians in a Non-Orrhogonal Basis Set Representation
نویسنده
چکیده
منابع مشابه
Generalization of Heisenberg Hamiltonians to non half-filled bands : a magneto-angular effective Hamiltonian for boron clusters
2014 An effective Hamiltonian has been proposed for the study of the neutral states of boron clusters, i.e. for a 1/6th filled band. This generalization of Heisenberg Hamiltonians rests upon the definition of a model space spanned by products of ground state 2P(s2p) atomic wave-functions. The resulting effective Hamiltonian involves, besides Heisenberg-type effective spin exchange terms, angula...
متن کاملEncoding multiple quantum coherences in non-commuting bases
Multiple quantum (MQ) coherences are characterized by their coherence number and the number of spins that make up the state, though only the coherence number is normally measured. We present a simple set of measurements that extend our knowledge of the MQ state by recording the coherences in two non-commuting bases – the x and the z bases (related by a similarity transformation). The measuremen...
متن کاملOn representation of the Hamiltonian matrix elements in relativistic regular approximation
With the help of resolution of the identity (RI) a compact representation for the zeroth-order (ZORA) and infiniteorder (IORA) regular approximation Hamiltonians in matrix form is developed. The new representation does not require calculation of any additional molecular integrals, which involve an auxiliary basis set used in the RI. The IORA computational scheme is modified in such a way that t...
متن کاملQuantum graphs with spin Hamiltonians
The article surveys quantization schemes for metric graphs with spin. Typically quantum graphs are defined with the Laplace or Schrödinger operator which describe particles whose intrinsic angular momentum (spin) is zero. However, in many applications, for example modeling an electron (which has spin-1/2) on a network of thin wires, it is necessary to consider operators which allow spin-orbit i...
متن کاملFunctional Integral Representation of the Pauli-Fierz Model with Spin 1/2
A Feynman-Kac-type formula for a Lévy and an infinite dimensional Gaussian random process associated with a quantized radiation field is derived. In particular, a functional integral representation of e−tHPF generated by the Pauli-Fierz Hamiltonian with spin 1/2 in non-relativistic quantum electrodynamics is constructed. When no external potential is applied HPF turns translation invariant and ...
متن کامل