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1964, Tata Institute of Fundamental Research. Lectures on mathematics and physics. Physics, 19., Volume 19., 75, iii leaves
Book
JOURNAL OF ORGANIC CHEMISTRY, ISSN 0022-3263, 05/2019, Volume 84, Issue 9, pp. 5203 - 5212
Two hitherto unknown conformationally rigid Hiickel aromatic ethynylene-cumulene conjugated [30] heteroannulenes have been synthesized and characterized. A... 
CHEMISTRY | CHEMISTRY, ORGANIC | PORPHYRINOIDS | HARTREE-FOCK
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2013, Volume 135, Issue 41, pp. 15642 - 15649
The Diels-Alder reactions of the cycloalkenes, cyclohexene through cyclopropene, with a series of dienes-1,3-dimethoxybutadiene. cyclopentadiene,... 
DENSITY FUNCTIONALS | ALKENES | 1,3-DIPOLAR CYCLOADDITIONS | STATES | VIBRATIONAL-SPECTRA | CYCLOPROPENE | ENERGIES | HARTREE-FOCK | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
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
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 04/2012, Volume 85, Issue 15
The modified Becke-Johnson exchange potential [F. Tran and P. Blaha, Phys. Rev. Lett. 102, 226401 (2009)] (TB-mBJ) yields very accurate electronic band... 
PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | RUS2 | MATERIALS SCIENCE, MULTIDISCIPLINARY | DENSITY-FUNCTIONAL APPROXIMATIONS | BAND-GAPS | HARTREE-FOCK
Journal Article
Computer Physics Communications, ISSN 0010-4655, 01/2013, Volume 184, Issue 1, pp. 142 - 161
Random Phase Approximation (RPA) calculations are nowadays an indispensable tool in nuclear physics studies. We present here a complete version implemented... 
Random Phase Approximation (RPA) | Skyrme interaction | Hartree-Fock (HF)
Journal Article
Physical Review Letters, ISSN 0031-9007, 2006, Volume 97, Issue 16, p. 166803
It has been experimentally observed that a bridging oxygen vacancy on the rutile TiO2(110) surface introduces localized Ti(3+)3d(1) states about 1 eV below the... 
OXYGEN | DENSITY | FUNCTIONAL THEORY | PHYSICS, MULTIDISCIPLINARY | O-2 | DIFFUSION | TITANIUM-DIOXIDE | ADSORPTION | EXCHANGE | HARTREE-FOCK | TIO2
Journal Article
Physica A: Statistical Mechanics and its Applications, ISSN 0378-4371, 10/2019, p. 123018
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 01/2018, Volume 8, Issue 1, p. n/a
This short update provides an overview of the capabilities that have been added to the ORCA electronic structure package (version 4.0) since publication of the... 
ORBITAL COUPLED-CLUSTER | SPECTROSCOPY | MATHEMATICAL & COMPUTATIONAL BIOLOGY | RELATIVISTIC BASIS-SETS | AUTOMATIC-GENERATION | ENERGIES | HARTREE-FOCK | EFFICIENT | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | Electronic structure | Quantum chemistry | Upgrading | Theories | High temperature superconductors | Density functional theory | Computer programs | Electrons
Journal Article
Reviews of Modern Physics, ISSN 0034-6861, 08/2015, Volume 87, Issue 3, pp. 897 - 923
Journal Article
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