6 Result(s)
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Chapter
Conclusions and Outlook
The general theory of first-order molecular density functions, which are connected to the molecular response to external electric and magnetic fields, has been developed in terms of induced charge and current ...
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Chapter
Introduction
To describe the interaction of a molecule with an external field, the concept of molecular response comes into play. Formally, it refers to response theory, namely the calculation of field-induced molecular prope...
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Chapter
Time-Independent Electron Current Density
This chapter has a dual aim. The first is to report the equations defining total electron current density induced by static and uniform magnetic and electric fields in the presence of a spin–orbit coupling int...
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Chapter
Implementation of Origin-Independent Dynamic Polarizability Density Within Coupled Cluster Response Theory
The implementation of dynamic origin-independent polarizability density at CCSD within the Coupled Cluster response theory approach is shown.
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Chapter
General Definitions
We premise that our study of the interaction of a molecule with external electric and magnetic fields is a semi-classical one, i.e., the molecular system is treated at the QM level, while the fields are consid...
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Chapter
Time-Dependent Perturbations
In this chapter expressions for the polarization charge and current densities induced in the electron cloud of a molecule by a monochromatic plane wave will be briefly recalled using the time-dependent quantum...
