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2009, 1. Aufl., ISBN 9780470373170, xii, 238
Demonstrates how anyone in math, science, and engineering can master DFT calculationsDensity functional theory (DFT) is one of the most frequently used... 
Quantum chemistry | Density functionals | Mathematical physics | Condensed Matter | Physics | SCIENCE
Book
2003, Series in high energy physics, cosmology and gravitation, ISBN 0750301600, xii, 380
Book
Inorganic Chemistry, ISSN 0020-1669, 12/2006, Volume 45, Issue 26, pp. 10576 - 10584
We present a combined density functional theory (DFT)/time-dependent density functional theory (TDDFT) study of the geometry, electronic structure, and... 
FLUORESCENT COPPER(I) COMPLEXES | PHOTOLUMINESCENCE PROPERTIES | MOLECULAR CALCULATIONS | EFFECTIVE CORE POTENTIALS | CRYSTAL-STRUCTURE | AB-INITIO | IODIDE-PYRIDINE | PHOTOPHYSICS | STRUCTURAL MOTIFS | DIYNYL COMPLEXES | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
2006, ISBN 1402041896, xix, 1011
This graduate-level textbook on quantum theory covers important recent developments and most aspects of the theory with detailed presentations. It is also a... 
Quantum theory | Physics | Atomic and Molecular Structure and Spectra | Atoms, Molecules, Clusters and Plasmas | Quantum Physics | Mathematical and Computational Physics | Elementary Particles, Quantum Field Theory
Book
Journal of Chemical Physics, ISSN 0021-9606, 02/2007, Volume 126, Issue 8, pp. 084108 - 084108-12
Journal Article
2013, ISBN 3527410082, Volume 9783527410088, xiii, 449
Meeting the need for a work that brings together quantum theory and spectroscopy to convey excitation processes to advanced students and specialists wishing to... 
Molecular spectroscopy | Excited state chemistry | Spectra | Condensed matter | Quantum theory
Book
Journal of chemical theory and computation, ISSN 1549-9618, 2005
Journal
2007, Springer series on atomic, optical, and plasma physics, ISBN 0387346716, Volume 40., xxiii, 797
Book
2009, ISBN 9783527320189, xxiii, 419
The first book dedicated to this new and powerful computational method begins with a comprehensive description of MCTDH and its theoretical background. There... 
MCTDH | Quantum theory | Computational Chemistry & Molecular Modeling
Book
2015, RSC theoretical and computational chemistry series, ISBN 1849738300, Volume no. 7., xii, 282
Written for postgraduates and newcomers to the field, this book presents aspects of scattering processes and the experimental methods used to determine them.... 
Molecular dynamics | Quantum Theory | SCIENCE | Molecule-molecule collisions
Book
Macromolecular theory and simulations, ISSN 1022-1344, 1994
Journal
2012, Springer series in optical sciences, ISBN 9783642287374, Volume 169., xiv, 259
Book
2005, ISBN 3527306900, xvii, 475
Medicine, chemistry, physics and engineering stand poised to benefit within the next few years from the ingenuity of complex biological structures invented and... 
Bioelectronics | Biology | Biotechnology
Book
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