Soft Coulomb hole method applied to theoretical equilibrium geometries of singlet diatomic molecules

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J Chem Phys | / 15卷 / 7160期

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[1] Soft Coulomb hole method applied to theoretical equilibrium geometries of singlet diatomic molecules
Hernández-Laguna, A
Alfonso-Méndez, L
Otto, P
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (15): : 7160 - 7165
[2] Soft Coulomb hole method applied to molecules
Ortega-Castro, J.
Alfonso-Mendez, L.
Otto, P.
Hernandez-Laguna, A.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2007, 107 (05) : 1046 - 1059
[3] THEORETICAL STUDIES OF EQUILIBRIUM GEOMETRIES OF AHN MOLECULES
DITCHFIELD, R
SEIDMAN, K
CHEMICAL PHYSICS LETTERS, 1978, 54 (01) : 57 - 60
[4] THEORETICAL CALCULATION OF GEOMETRY OF EQUILIBRIUM AND FORCE CONSTANTS OF DIATOMIC MOLECULES USING CNDO METHOD
CARALP, L
CAVALIER, JC
COMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES SERIE C, 1971, 273 (14): : 801 - +
[5] HARTREE-FOCK SOFT COULOMB HOLE TO ESTIMATE CORRELATION ENERGIES IN ATOMS, MOLECULES AND POLYMERS
OTTO, P
REIF, H
HERNANDEZLAGUNA, A
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 340 : 51 - 62
[6] A practical method for diffraction analysis of equilibrium geometries of molecules without refined force fields
Spiridonov, VP
Tarasov, YI
Novosadov, BK
Nikitin, OY
Maslov, IV
JOURNAL OF MOLECULAR STRUCTURE, 1997, 413 : 463 - 470
[7] Koopmans' approximation applied in atoms and diatomic molecules using the diffusion quantum Monte Carlo method
Delfino Angelotti, Wagner Fernando
Streit, Livia
da Fonseca, Andre Luiz
Custodio, Rogerio
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2008, 108 (13) : 2459 - 2466
[8] NEW THEORETICAL METHOD FOR ACCURATE CALCULATION OF EXPECTATION VALUES ON FUNCTIONS OF INTERNUCLEAR SEPARATION IN 1SIGMA-STATE DIATOMIC MOLECULES
HERMAN, RM
SHORT, S
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03): : 1266 - &
[9] An improved generator coordinate Hartree-Fock method applied to the choice of contracted Gaussian basis sets for first-row diatomic molecules
Pinheiro, JC
Jorge, FE
De Castro, EVR
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2000, 78 (01) : 15 - 23
[10] EVEN-TEMPERED ATOMIC ORBITALS .7. THEORETICAL EQUILIBRIUM GEOMETRIES AND REACTION ENERGIES FOR CARBON SUBOXIDE AND OTHER MOLECULES CONTAINING CARBON, OXYGEN, AND HYDROGEN
BARDO, RD
RUEDENBERG, K
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (03): : 932 - 936

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