作者: Zsófia Szalay , János Rohonczy
DOI: 10.1016/B978-0-08-097074-5.00006-2
关键词: Physics 、 Scalar (mathematics) 、 Space (mathematics) 、 Quantum mechanics 、 Statistical physics 、 Hilbert space 、 Dynamic Monte Carlo method 、 Spin-½ 、 Kinetic Monte Carlo 、 Eigenfunction 、 Basis function
摘要: Abstract Conventional dynamic NMR spectrum simulation methods are based on the solution of phenomenologically extended Liouville–von Neumann equation spin systems in Liouville space. In this work, we show an alternative method which effects exchange processes and scalar couplings can be separated. The interactions described by quantum mechanics while characterised statistical methods. easiest way to handle latter one is means Kinetic Monte Carlo (KMC) simulation. KMC calculation presented here provides a possible extension single vector model weakly strongly coupled as well. crucial point linear transformation between basis functions eigenfunctions (or coherences) during detection processes. mathematical description individual density matrices complete Hilbert