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2015, ICP essential textbooks in chemistry, ISBN 1783264136, xiv, 261 pages
Book
2005, ISBN 0521831288, Volume 9780521831284, ix, 749
This graduate level text presents the first comprehensive overview of modern chemical valency and bonding theory, written by internationally recognised experts... 
Molecular structure | Chemical bonds | Valence (Theoretical chemistry)
Book
Molecular Physics, ISSN 0026-8976, 09/2019, Volume 117, Issue 17, pp. 2275 - 2283
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 01/2012, Volume 2, Issue 1, pp. 1 - 42
Natural bond orbital (NBO) methods encompass a suite of algorithms that enable fundamental bonding concepts to be extracted from Hartree‐Fock (HF), Density... 
STERIC ANALYSIS | ENERGY DECOMPOSITION ANALYSIS | RESONANCE THEORY | ELECTRONIC-STRUCTURES | BARRIER HYDROGEN-BONDS | CHEMICAL-BOND | POLYATOMIC-MOLECULES | POPULATION ANALYSIS | LOCALIZED MOLECULAR-ORBITALS | ROTATION BARRIERS | MATHEMATICAL & COMPUTATIONAL BIOLOGY | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 10/2017, Volume 147, Issue 16, p. 164107
In the Fermi-Löwdin orbital method for implementing self-interaction corrections (FLO-SIC) in density functional theory (DFT), the local orbitals used to make... 
CHEMISTRY, PHYSICAL | SYSTEMS | ACCURATE | ENERGY | APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Atomic properties | Density functional theory | Orbitals | Quantum numbers | Energy conservation
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 03/2003, Volume 118, Issue 11, pp. 4775 - 4777
A means of finding a compact orbital representation for the electronic transition density matrix is described. The technique utilizes the corresponding orbital... 
STATES | EXCITATION-ENERGIES | MOLECULAR CALCULATIONS | SPECTROSCOPY | EFFECTIVE CORE POTENTIALS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DENSITY-FUNCTIONAL THEORY | SPECTRA | PREDICTION
Journal Article
1976, ISBN 9780471368557, v.
Book
Nature Physics, ISSN 1745-2473, 10/2011, Volume 7, Issue 10, pp. 822 - 826
The emission of coherent XUV radiation from atomic or molecular gases exposed to intense infrared laser pulses, known as high harmonic generation, is of... 
PHYSICS, MULTIDISCIPLINARY | Atoms & subatomic particles | Tomography | Molecular physics | Radiation | Harmonic generations | Orbitals | Coherence | Images | Emission | Molecular orbitals | Atomic structure
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 10/2015, Volume 639, pp. 315 - 319
Linear response density matrix functional theory has been shown to solve the main problems of time-dependent density functional theory (deficient in case of... 
CHEMISTRY, PHYSICAL | SYSTEMS | ENERGIES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | Density functionals
Journal Article