Salam A
Department of Chemistry, Wake Forest University, Winston-Salem, NC 27109, USA.
J Chem Phys. 2005 Jan 22;122(4):44113. doi: 10.1063/1.1827596.
The matrix element for the resonant transfer of excitation between two molecules possessing electric and magnetic multipole moments of arbitrary order is calculated using quantum electrodynamical response theory. A prerequisite of the method is the functional form for the lth order linear electric and magnetic multipole dependent electric displacement and magnetic field operators in the neighborhood of a molecule, whose derivation is also given. The initially unexcited species is viewed as a test body accepting energy resonantly via coupling to the Maxwell fields of the excited multipole source molecule. The generalized electric-electric multipole contribution to the matrix element is shown to agree with an earlier calculation using time-dependent perturbation theory. As an application involving both electric and magnetic terms, the rate of excitation transfer between two chiral molecules is computed and found to depend on the handedness of each species.
利用量子电动力学响应理论计算了具有任意阶电和磁多极矩的两个分子之间激发的共振转移的矩阵元。该方法的一个前提是分子附近第l阶线性电和磁多极相关的电位移和磁场算符的函数形式，文中也给出了其推导过程。最初未激发的物种被视为一个测试体，通过与激发的多极源分子的麦克斯韦场耦合来共振吸收能量。结果表明，矩阵元的广义电-电多极贡献与早期使用含时微扰理论的计算结果一致。作为一个涉及电和磁项的应用，计算了两个手性分子之间的激发转移速率，发现其取决于每个物种的手性。
