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2015, ICP essential textbooks in chemistry, ISBN 1783264136, xiv, 261 pages
Book
Molecular Physics, ISSN 0026-8976, 09/2019, Volume 117, Issue 17, pp. 2275 - 2283
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
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
1973, Rev. SI ed. --, Monographs for teachers ; no. 8, ISBN 0854040285, 48
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
1986, ISBN 047190936X, xii, 176
Book
Journal of Chemical Theory and Computation, ISSN 1549-9618, 10/2014, Volume 10, Issue 10, pp. 4432 - 4441
In recent years, several benchmark studies on the performance of large sets of functionals in time-dependent density functional theory (TDDFT) calculations of... 
LOCAL-DENSITY | EIGENVALUES | CORRECT ASYMPTOTIC-BEHAVIOR | EXCHANGE-CORRELATION POTENTIALS | IONIZATION-POTENTIALS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DENSITY-FUNCTIONAL-THEORY | ACETONE | CHEMISTRY, PHYSICAL | ELECTRONIC-SPECTRUM | EXCITED-STATES | RANGE
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 10/2018, Volume 14, Issue 10, pp. 5203 - 5219
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2018, Volume 148, Issue 13, p. 134120
The dependence of the natural amplitudes of the harmonium atom in its ground state on the confinement strength ω is thoroughly investigated. A combination of... 
DENSITY FUNCTIONALS | CHEMISTRY, PHYSICAL | 2 ELECTRONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
1979, ISBN 9780471031819, vi, 104
Book
Journal of Chemical Physics, ISSN 0021-9606, 09/2011, Volume 135, Issue 10, pp. 104103 - 104103-17
Using a Lagrangian-based approach, we present a more elegant derivation of the equations necessary for the variational optimization of the molecular orbitals... 
FIRST-ROW ATOMS | VIBRATIONAL FREQUENCIES | WAVE-FUNCTIONS | CORRELATED MOLECULAR CALCULATIONS | MANY-ELECTRON THEORY | ATOMIC BASIS SETS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ANALYTIC ENERGY DERIVATIVES | BRUECKNER THEORY | GAUSSIAN-BASIS SETS | SYMMETRY-BREAKING
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