Calculations on nonlinear optical properties for large systems
The elongation method
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7 Result(s)
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Feng Long Gu
Nanotechnology
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Book
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Chapter
Survey of Nonlinear Optical Materials
This chapter contains a brief summary of various NLO processes as well as materials that show particularly large responses.
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Chapter
Future Prospects
There are many chemical systems of interest that are too large to be studied by means of conventional quantum chemistry computational methods
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Chapter
Quantum-Mechanical Treatment of Responses to Electric Fields—Extended Systems
In this chapter we discuss the quantum-mechanical treatment of extended systems exposed to electric fields. Special emphasis is put on systems that are regular and so large that they can be considered as being...
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Chapter
Applications of the Elongation Method to NLO Properties
In this chapter we present our methodologies for calculating L&NLO properties of large systems using the ELG approach. In addition to the issue of linear scaling, the accuracy of the calculated field-free, fin...
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Chapter
Quantum-Mechanical Treatment of Responses to Electric Fields—Molecular Systems
In this chapter we first give a brief overview of theoretical methods for calculating the responses of smaller or larger, finite systems to electric fields. Subsequently, we concentrate on the quantum-mechanic...
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Chapter
The Elongation Method
The elongation (ELG) method is a theoretical procedure for building up an arbitrary system by adding small fragments, one by one, to an original and growing cluster. In this chapter the basic features of this ...
