Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("ROOTHAAN METHOD")

Document Type [dt]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Publication Year[py]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Discipline (document) [di]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Language

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Author Country

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Results 1 to 25 of 137

  • Page / 6
Export

Selection :

  • and

CALCUL ANALYTIQUE DES INTEGRALES SPIN-SPIN BICENTRIQUES D'ATTRACTION AU NOYAU AVEC DES ORBITALES DE TYPE SLATER CENTREES EN DIVERS POINTSGUSEJNOV II; IMAMOV EH M.1980; ZH. STRUKT. KHIM.; SUN; DA. 1980; VOL. 21; NO 2; PP. 192-193; BIBL. 5 REF.Article

RELATIONS BETWEEN MATRIX ELEMENTS IN THE RELATIVISTIC HARTREE-FOCK-ROOTHAN THEORY FOR MOLECULESOREG J; GULZARI MALLI.1979; MOLEC. PHYS.; GBR; DA. 1979; VOL. 37; NO 1; PP. 265-270; BIBL. 5 REF.Article

EXACT FORMULA FOR THE GRADIENT OF THE CI POTENTIAL ENERGY HYPERSURFACETACHIBANA A; YAMASHITA K; YAMABE T et al.1978; CHEM. PHYS. LETTERS; NLD; DA. 1978; VOL. 59; NO 2; PP. 255-260; BIBL. 14 REF.Article

ORBITAL ENERGIES IN OPEN SHELL SYSTEMS.SAUER J; JUNG C; HAFFE HH et al.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 1; PP. 495-496; BIBL. 8 REF.Article

THEORIE DES PARAMETRES ELECTROOPTIQUES DES MOLECULESROSSIKHIN VV.1978; FIZ. MOLEK.; UKR; DA. 1978; NO 6; PP. 33-60; ABS. ENG; BIBL. 48 REF.Article

DOUBLE-PHOTOIONISATION CROSS SECTION OF THE BERYLLIUM ATOM.WINKLER P.1977; J. PHYS., B; G.B.; DA. 1977; VOL. 10; NO 19; PP. L693-L697; BIBL. 14 REF.Article

TWO-ELECTRON ATOMS. THE KINOSHITA EXPANSIONSCHERR CW.1979; PHYS. REV., A; USA; DA. 1979; VOL. 19; NO 2; PP. 469-473; BIBL. 9 REF.Article

SCF HARTREE-FOCK CALCULATIONS OF GROUND STATE WAVEFUNCTIONS OF COMPRESSED ATOMSLUDENA EV.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 4; PP. 1770-1775; BIBL. 51 REF.Article

ALGORITHME SIMPLE GARANTISSANT LA CONVERGENCE DE LA SOLUTION DES EQUATIONS SCF LCAO MO POUR LES COUCHES ELECTRONIQUES FERMEESBAGATUR'YANTS AA; KORSUNOV VA; CHUVYLKIN ND et al.1979; Z. FIZ. HIM.; ISSN 0044-4537; SUN; DA. 1979; VOL. 53; NO 9; PP. 2340-2341; BIBL. 20 REF.Article

SOME ASPECTS OF THE MODEL POTENTIAL METHODHOJER G; CHUNG J.1978; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1978; VOL. 14; NO 5; PP. 623-634; BIBL. 7 REF.Article

GTO BASIS SETS FOR HEAVIER ELEMENTS.HUZINAGA S.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 9; PP. 4245; BIBL. 3 REF.Article

Double even tempering of orbital exponents: Application to Roothaan-Hartree-Fock calculations for He through Xe in Slater-type basis setsKOGA, T; TATEWAKI, H; THAKKAR, A. J et al.Theoretica chimica acta. 1994, Vol 88, Num 4, pp 273-283, issn 0040-5744Article

Roothaan-Hartree-Fock wave functions for atoms with Z≤54KOGA, T; TATEWAKI, H; THAKKAR, A. J et al.Physical review. A. 1993, Vol 47, Num 5B, pp 4510-4512, issn 1050-2947, BArticle

On the implicit integral character of Roothaan's expansionDACOSTA, H. F. M; TRSIC, M; DA SILVA, A. B. F et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 1999, Vol 5, Num 3, pp 375-380, issn 1434-6060Article

Nonlinear Roothaan's equationsMARANON, J.International journal of quantum chemistry. 1993, Vol 48, Num 3, pp 151-159, issn 0020-7608Article

Roothaan-Hartree-Fock wavefunctions for ions with N≤54KOGA, T; SEKI, Y; THAKKAR, A. J et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 1993, Vol 26, Num 16, pp 2529-2532, issn 0953-4075Article

A direct time-dependent coupled perturbed Hartree-Fock-Roothaan approach to calculate molecular (hyper)polarizabilitiesKARNA, S. P.Chemical physics letters. 1993, Vol 214, Num 2, pp 186-192, issn 0009-2614Article

Roothaan-Hartree-Fock wave function for atoms from Cs through UKOGA, T; THAKKAR, A. J.Physical review. A. 1993, Vol 48, Num 6, pp 4775-4777, issn 1050-2947Article

ETUDE DES SPECTRES D'ABSORPTION DE RAYONS X DE LA MOLECULE SO2 PAR LA METHODE DE HARTREE-FOCK-ROOTHAANKONDRATENKO AV; MAZALOV LN; NEJMAN KM et al.1980; OPT. SPEKTROSK.; ISSN 0030-4034; SUN; DA. 1980; VOL. 49; NO 3; PP. 488-492; BIBL. 17 REF.Article

ANALYTICAL RELATIVISTIC SELF-CONSISTENT FIELD CALCULATIONS FOR ATOMSBARTHELAT JC; PELISSIER M; DURAND P et al.1980; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1980; VOL. 21; NO 6; PP. 1773-1785; BIBL. 21 REF.Article

ETUDE THEORIQUE DU COMPLEXE DU CATION LITHIUM AVEC LE METHYLENEBESPALOV V YA.1978; ZH. STRUKT. KHIM.; SUN; DA. 1978; VOL. 19; NO 5; PP. 937-938; BIBL. 5 REF.Article

ADDITIONAL HARTREE-FOCK-ROOTHAAN WAVEFUNCTIONS WITH 3D AND 4D ELECTRONS.PAVANI R; CLEMENTI E.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 67; NO 7; PP. 3403-3404; BIBL. 4 REF.Article

Comments on the basis spinors in Dirac-Fock-Roothaan calculationsMATSUOKA, O.Chemical physics letters. 1989, Vol 155, Num 6, pp 544-546, issn 0009-2614Article

Etude ab initio de la structure, de la stabilité de la pseudorotation de la molécule ClH3PERSHIN, V. L; BOLDYREV, A. I; KOSTIN, V. I et al.Žurnal neorganičeskoj himii. 1984, Vol 29, Num 7, pp 1644-1649, issn 0044-457XArticle

FORCES DANS LES MOLECULES. ALGORITHME ET PROGRAMME DE CALCUL DES FORCESZHOGINA VV; NOVOSADOV BK.1980; ZH. STRUKT. KHIM.; SUN; DA. 1980; VOL. 21; NO 4; PP. 73-77; BIBL. 7 REF.Article

  • Page / 6