Quantum electrodynamical density-matrix functional theory and group theoretical consideration of its solution.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 273, doi. 10.1002/qua.940
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Works matching IS 00207608 AND DT 2002 AND VI 90 AND IP 1
Results: 51
1
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Important correlation effects for the Er<sup>3+</sup> 4 f<sup>11</sup><sup>4</sup>S<sub>3/2</sub>→<sup>4</sup>I<sub>15/2</sub> laser transition energy.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 439, doi. 10.1002/qua.991
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- Article
3
Three-center nuclear attraction, three-center two-electron Coulomb and hybrid integrals over B functions evaluated using the nonlinear S \documentclass{article}\pagestyle{empty}\begin{document}$\overline{D}$\end{document}.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 119, doi. 10.1002/qua.962
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- Article
4
Brueckner orbitals and density-functional theory.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 294, doi. 10.1002/qua.944
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- Article
5
Thomas-Fermi theory revisited.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 262, doi. 10.1002/qua.10061
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- Article
6
Stochastic diagonalization of Hamiltonian: A genetic algorithm-based approach.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 188, doi. 10.1002/qua.995
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- Article
7
Partitioning technique and transport across molecular interfaces: Many-body effects.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 14, doi. 10.1002/qua.926
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- Article
8
Highly accurate Gaussian basis sets for some 14-electron diatomic systems.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 244, doi. 10.1002/qua.10106
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- Article
9
Comparison of two-electron densities reconstructed from one-electron density matrices.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 355, doi. 10.1002/qua.966
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- Article
10
Intermolecular perturbation theory applied to an exactly solvable model.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 54, doi. 10.1002/qua.977
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- Article
11
Addition theorems as three-dimensional Taylor expansions. II. B functions and other exponentially decaying functions.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 92, doi. 10.1002/qua.948
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- Article
12
Density functional embedded cluster calculations on Lewis acid centers of the α-Al<sub>2</sub>O<sub>3</sub>(0001) surface: Adsorption of a CO probe.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 386, doi. 10.1002/qua.988
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- Article
13
Nuclear electromagnetic shieldings via charge and current density functions.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 464, doi. 10.1002/qua.999
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- Article
14
INDO/S parameters for gold.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 424, doi. 10.1002/qua.10058
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- Article
15
Modified Slater potential and its application to the ground-states and excited-states of atomic systems.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 327, doi. 10.1002/qua.943
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- Article
16
Calculation of nuclear-attraction and modified overlap integrals using Gegenbauer coefficients.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 136, doi. 10.1002/qua.983
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- Article
17
Atomic spin-density polarization index and atomic spin-density information entropy distance.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 334, doi. 10.1002/qua.994
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- Article
18
Atomic and molecular energies in terms of electrostatic potentials at nuclei.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 459, doi. 10.1002/qua.10105
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- Article
19
The Löwdin challenge: Origin of the n+ℓ, n (Madelung) rule for filling the orbital configurations of the periodic table.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 80, doi. 10.1002/qua.965
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- Article
20
Cumulant 2-matrix of the high-density electron gas and the density matrix functional theory.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 342, doi. 10.1002/qua.969
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- Article
21
Harmonic oscillator basis functions and Gaussian model potentials for the analysis of anharmonic vibrations.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 202, doi. 10.1002/qua.10046
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- Article
22
Hierarchical construction of finite diabatic sets by Mathieu functions.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 266, doi. 10.1002/qua.10086
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- Article
23
Resistance-distance matrix: A computational algorithm and its application.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 166, doi. 10.1002/qua.10057
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- Article
24
Self-energy operator and self-energy fields in many-body systems: Liouvillian approach.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 148, doi. 10.1002/qua.10097
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- Article
25
Some observations on P.-O. Löwdin's definition of a molecule.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 66, doi. 10.1002/qua.1819
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- Article
26
SU(3)×𝒮<sub>20</sub> algebras for uniform spin-1 ensembles on [<sup>2</sup> H<sup>12</sup> C]<sub>20</sub>, or [<sup>14</sup> N]<sub>20</sub>, dodecahedrane-type lattices and analogous isotopomeric [ M<sub>20</sub><sup>12</sup> C<sub>40</sub>] met-carb subensembles: M-based cardinalities and completeness of 𝒮<sub>20</sub> spin irreps, via hierarchical {𝒞<sup>λ⊢( n=20):( M)</sup>} designs of polyhedral combinatorics
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 155, doi. 10.1002/qua.942
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27
Hermitian Fock matrix in the chemical Hamiltonian approach: Fulfilling Löwdin's prediction.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 89, doi. 10.1002/qua.982
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28
Logarithmic perturbation theory: A reappraisal.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 27, doi. 10.1002/qua.993
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29
A note suggesting an approximation for the Hohenberg and Kohn functional.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 291, doi. 10.1002/qua.924
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30
Systematic trends in E2 transitions along the sodium isoelectronic sequence.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 403, doi. 10.1002/qua.10030
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31
Constant denominator perturbative schemes and the partitioning technique.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 20, doi. 10.1002/qua.935
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- Article
32
Bounds on electrostatic interactions.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 177, doi. 10.1002/qua.986
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- Publication type:
- Article
33
Cumulant-based approximations to reduced density matrices.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 105, doi. 10.1002/qua.997
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- Article
34
Comparison of different atomic charge schemes for predicting p K<sub>a</sub> variations in substituted anilines and phenols.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 445, doi. 10.1002/qua.10108
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- Article
35
Model study of the impact of orbital choice on the accuracy of coupled-cluster energies. IV. Single-reference-state methods in applications to excited states.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 250, doi. 10.1002/qua.10074
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- Article
36
Recurrent generation of approximate functionals in density functional theory.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 282, doi. 10.1002/qua.939
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37
Analytical and ab initio studies of effective exchange interactions, polyradical character, unpaired electron density, and information entropy in radical clusters ( R)<sub> N</sub>: Allyl radical cluster ( N=2-10) and hydrogen radical cluster ( N=50).
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 370, doi. 10.1002/qua.979
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- Article
38
Mutual conversion of three flavors of Gaussian type orbitals.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 227, doi. 10.1002/qua.10085
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- Article
39
Per-Olov Löwdin curriculum vitae.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 1, doi. 10.1002/qua.10096
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- Article
40
Evaluation of quantum mechanical perturbative sums in terms of quadratic surds and their use in the approximation of ζ(3)/π<sup>3</sup>.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 42, doi. 10.1002/qua.1803
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41
Models for low-temperature helium dimers and trimers.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 419, doi. 10.1002/qua.1807
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42
Introduction.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 12, doi. 10.1002/qua.930
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- Article
43
On Löwdin's method of symmetric orthogonalization.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 63, doi. 10.1002/qua.981
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- Publication type:
- Article
44
Trends in hyperfine coupling constants and electron-spin g factors for X \documentclass{article}\pagestyle{empty}\begin{document}$^{2}\Sigma^{+}_{(g,u)}$\end{document}.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 472, doi. 10.1002/qua.996
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- Publication type:
- Article
45
New complete orthonormal sets of exponential-type orbitals and their application to translation of Slater orbitals.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 114, doi. 10.1002/qua.927
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- Article
46
Energy levels of the 4 s<sup>2</sup>4 p<sup>2</sup> states of germanium and germaniumlike ions.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 410, doi. 10.1002/qua.10107
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- Publication type:
- Article
47
A generalized expansion of the potential energy of diatomic molecules.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 183, doi. 10.1002/qua.978
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- Publication type:
- Article
48
Local kinetic energy and local temperature in the density-functional theory of electronic structure.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 309, doi. 10.1002/qua.989
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49
On canonical perturbation theory in classical mechanics.
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- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 37, doi. 10.1002/qua.10066
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- Article
50
Calculation of matrix elements in relativistic quantum mechanics.
- Published in:
- International Journal of Quantum Chemistry, 2002, v. 90, n. 1, p. 195, doi. 10.1002/qua.10099
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- Publication type:
- Article