Ingeniería Química y Ambiental
Departamento
![Foto de José Manuel](/img/nophoto.png)
José Manuel
García de la Vega
Publicaciones en las que colabora con José Manuel García de la Vega (28)
2021
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Accurate atomic momentum integrals and Compton profiles
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 54, Núm. 2
2007
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Influence of electronic correlation in monoelectronic density in p-space
Theoretical Chemistry Accounts, Vol. 118, Núm. 3, pp. 723-732
2003
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DFT study of the electronic structure and Jahn-Teller effect of tetrabromomethane cation
International Journal of Quantum Chemistry, Vol. 91, Núm. 3 SPEC, pp. 414-417
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Theoretical study of low-lying electronic states of BP molecule
Chemical Physics Letters, Vol. 381, Núm. 5-6, pp. 720-724
2000
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An ab initio multireference doubles excitation configuration interaction study of low-lying electronic states of Cd2 using Slater-type orbitals
Theoretical Chemistry Accounts, Vol. 104, Núm. 3-4, pp. 189-194
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Double- and triple-zeta Slater-type basis sets with common exponents
Theoretical Chemistry Accounts, Vol. 104, Núm. 2, pp. 167-171
1999
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Exponential-type basis functions: Single- and double-zeta B function basis sets for the ground states of neutral atoms from Z = 2 TO Z = 36
Atomic Data and Nuclear Data Tables, Vol. 72, Núm. 1, pp. 57-99
1998
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Determination of momentum expectation values for polyatomic molecules
Computer Physics Communications, Vol. 109, Núm. 1, pp. 34-46
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Double-zeta Slater-type basis sets with noninteger principal quantum numbers and common exponents
Chemical Physics Letters, Vol. 283, Núm. 1-2, pp. 97-101
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The influence of basis sets in the calculations of momentum expectation values for diatomic molecules
Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 35-45
1997
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Ab initio configuration interaction calculations of ground state and lower excited states of Zn2 using optimized Slater-type wavefunctions
Journal of the Chemical Society - Faraday Transactions, Vol. 93, Núm. 1, pp. 29-32
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Density functional calculations on Jahn-Teller effect of tetrachloromethane cation
International Journal of Quantum Chemistry, Vol. 61, Núm. 3, pp. 533-540
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Two-center p-space integrals: Diatomic molecular moments
Journal of Mathematical Chemistry, Vol. 21, Núm. 2, pp. 211-222
1996
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Single-exponent Slater function expansions for lithium to neon atoms
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 29, Núm. 22, pp. 5273-5282
1995
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Ab initio study of electronic structure and Jahn-Teller effect of tetrachloromethane cation
Journal of Physical Chemistry, Vol. 99, Núm. 32, pp. 12135-12140
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Accurate Roothaan-Hartree-Fock momentum expectation values for ground states of the atoms He to Xe
Chemical Physics Letters, Vol. 236, Núm. 6, pp. 616-620
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Roothaan-Hartree-Fock-Slater Momentum Expectation Values for U-Lr Atoms
Atomic Data and Nuclear Data Tables, Vol. 60, Núm. 2, pp. 321-330
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Slater functions for Y to Cd atoms by the distance between subspaces
Journal of Solid State Chemistry, Vol. 116, Núm. 2, pp. 275-280
1994
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Orbitals expanded in slater functions with single‐exponent by shell and by subshell
International Journal of Quantum Chemistry, Vol. 51, Núm. 6, pp. 397-405
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Roothaan-hartree-fock momentum expectation values for heavy elements (Z = 55-92)
Atomic Data and Nuclear Data Tables, Vol. 58, Núm. 2, pp. 307-315