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Time-dependent density-functional theory : concepts and applications

Tác giả: Carsten Ullrich

The book begins with a self-contained review of ground-state DFT, followed by a detailed and pedagogical treatment of the formal framework of TDDFT. It is explained how excitation energies can be calculated from linear-response TDDFT. Among the more advanced topics are time-dependent ...

Molecular electronic-structure theory

Tác giả: Trygve Helgaker, Poul Jorgensen, Jeppe Olsen

Topics covered in the book include: Second quantization with spin adaptation. Gaussian basis sets and molecular-integral evaluation. Hartree-Fock theory. Configuration-interaction and multi-configurational self-consistent theory. Coupled-cluster theory for ground and excited states. Perturbation ...

Chemical bonding in solids

Tác giả: Jeremy K. Burdett

In Chemical Bonding in Solids, renowned chemist Jeremy K. Burdett offers a clear and much-needed synthesis of chemical bonding theory and solid state structural considerations. Over the past fifteen years, the delocalized orbital model favored by molecular chemists--the model of choice for ...

International conference on spectroscopy & applications Danang-ICSA-2013 : Duy Tan University Da Nang, 26-29 november 2013 Vietnam

Nhóm Tác giả: Duy Tan University

New applications in optical spectroscopy; Spectroscopy in nanomaterials; Spectroscopy in gemmology; Quantum information; Spectroscopy in biosciences; Spectroscopy in pharmaceuticals; Spectroscopy applied to environmental problems; Spectroscopy applied to archeology...

Spectroscopy and its applications

Tác giả: Dang Vu Minh

This International workshop commemorates the 20 years of research & development and the international cooperation in the fields of luminescence and luminescence detectors and 15 years of scientific collaboration on the topic of spectroscopy of the gemestones between different research institutes ...