Potential energy surface of the 1<sup>2</sup>A′ Li<sub>2</sub> + Li doublet ground state.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3112, doi. 10.1002/qua.22063
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2009 AND VI 109 AND IP 13
Results: 39
1
2
Will quantum chemistry benefit from quantum computers?
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3003, doi. 10.1002/qua.22062
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- Article
3
Spanning the Hilbert space with an even tempered Gaussian basis set.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2996, doi. 10.1002/qua.22090
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- Article
4
A theorem for complex symmetric matrices revisited.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2860, doi. 10.1002/qua.22097
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- Article
5
Efficient calculation of the exchange in the Fourier representation of HF-LCAO-CO equations for 1D periodic systems.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2960, doi. 10.1002/qua.22104
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- Article
6
My association with Frank Harris: An arc of forty-four years.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2821, doi. 10.1002/qua.22115
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- Article
7
On intramolecular average <sup>13</sup>C chemical shift in nonanes.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3093, doi. 10.1002/qua.22116
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- Article
8
An analytical representation of shell corrections for stopping power.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2933, doi. 10.1002/qua.22126
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- Article
9
General two-electron exponential type orbital integrals in polyatomics without orbital translations.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2926, doi. 10.1002/qua.22128
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- Article
10
The leaky aquifer function revisited.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2826, doi. 10.1002/qua.22130
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- Publication type:
- Article
11
Stueckelberg oscillations in the charge transfer into the n = 2 and n = 3 shells of He<sup>2</sup> on collision with H.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3063, doi. 10.1002/qua.22149
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- Article
12
The highly unsaturated dimetal hexacarbonyls of manganese and rhenium: Alternatives to a formal metal–metal quintuple bond.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3082, doi. 10.1002/qua.22150
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- Publication type:
- Article
13
Intermediate Hamiltonian Hilbert space coupled cluster method: Theory and pilot application.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2909, doi. 10.1002/qua.22155
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- Publication type:
- Article
14
Numerical orbital Fourier space approach to polymer band-structure calculations.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2968, doi. 10.1002/qua.22161
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- Publication type:
- Article
15
Frank Harris: The Berkeley years—A personal memoir.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2817, doi. 10.1002/qua.22173
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- Article
16
Spectrum-like graphical representation of RNA secondary structure.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2982, doi. 10.1002/qua.22175
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- Publication type:
- Article
17
On the Brillouin-zone integrations in second-order many-body perturbation calculations for extended systems of one-dimensional periodicity.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2953, doi. 10.1002/qua.22176
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- Publication type:
- Article
18
Polarizabilities and second hyperpolarizabilities of hydrogen chains using the spin-component-scaled Møller–Plesset second-order method.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3103, doi. 10.1002/qua.22177
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- Publication type:
- Article
19
Frank E. Harris: The first 80 years.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2801, doi. 10.1002/qua.22188
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- Article
20
Frank E. Harris.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2803, doi. 10.1002/qua.22189
- Publication type:
- Article
21
An ab initio analysis of charge redistribution upon isomerization of retinal in rhodopsin and bacteriorhodopsin.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3131, doi. 10.1002/qua.22192
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- Publication type:
- Article
22
Dynamics for the dynamic Frank Harris: Exploring H<sup>+</sup> + CF<sub>4</sub> at E<sub>lab</sub> = 20 and 30 eV.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3026, doi. 10.1002/qua.22205
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- Publication type:
- Article
23
An SO(4) invariant Hamiltonian and the two-body bound state. I: Coulomb interaction between two spinless particles.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2885, doi. 10.1002/qua.22206
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- Publication type:
- Article
24
Separable representations of the Coulomb interaction.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2866, doi. 10.1002/qua.22208
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- Publication type:
- Article
25
Chemical reactions in the gas phase and in condensed matter: From wavefunctions to density operators.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2937, doi. 10.1002/qua.22212
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- Publication type:
- Article
26
Energy-dependent scaling of the Dirac equation.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2903, doi. 10.1002/qua.22240
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- Publication type:
- Article
27
Infinite-order functional for nonlinear parameters optimization in explicitly correlated coupled cluster theory.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2872, doi. 10.1002/qua.22214
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- Publication type:
- Article
28
An accurate few-parameter ground state wave function for the lithium atom.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3036, doi. 10.1002/qua.22217
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- Publication type:
- Article
29
Exact mathematical treatment of the modifications of finite-dimensional quantum systems.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2831, doi. 10.1002/qua.22227
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- Publication type:
- Article
30
Effects of local Coulomb potentials on acid and base protonation–deprotonation rates and equilibria.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3120, doi. 10.1002/qua.22230
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- Publication type:
- Article
31
Application of the method of increments to the adsorption of H<sub>2</sub>S on graphene.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3055, doi. 10.1002/qua.22233
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- Publication type:
- Article
32
Quantum potential for diffraction and exchange effects.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3082, doi. 10.1002/qua.22234
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- Publication type:
- Article
33
A numerical study of the asymptotic convergence characteristics of partial averaged and reweighted Fourier path integral methods.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2916, doi. 10.1002/qua.22241
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- Article
34
Spheroidal confinement of a single electron and of the hydrogen atom, the H<STACK><sub>2</sub><sup>+</sup></STACK> and HeH<sup>++</sup> molecular ions with arbitrary nuclear positions along the major axis.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3041, doi. 10.1002/qua.22257
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- Publication type:
- Article
35
Few sketches on connections between the Riccati and Ermakov–Milne–Pinney equations.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2897, doi. 10.1002/qua.22259
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- Publication type:
- Article
36
A short photo album of Frank Harris.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2802, doi. 10.1002/qua.22258
- Publication type:
- Article
37
A new math library.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 3008, doi. 10.1002/qua.22266
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- Publication type:
- Article
38
Conditions on the Kohn–Sham kinetic energy and associated density.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2943, doi. 10.1002/qua.22312
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- Publication type:
- Article
39
The Kirchhoff index and the matching number.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 13, p. 2978, doi. 10.1002/qua.21915
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- Publication type:
- Article