Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:(%22METHODE ROOTHAAN%22)

Filter

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

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

Origin

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

Results 1 to 25 of 4390

  • Page / 176
Export

Selection :

  • and

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

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

QUALITY : A program to assess basis set qualitySORDO, J. A.Computer physics communications. 1998, Vol 113, Num 1, pp 85-104, issn 0010-4655Article

Molecular orbital theory: Spinor representationAONO, Shigeyuki.Journal of the Physical Society of Japan. 2003, Vol 72, Num 12, pp 3097-3105, issn 0031-9015, 9 p.Article

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

Méthodes de la chimie quantique = The quantum chemistry methodsBOUCEKKINE, Ghania.Techniques de l'ingénieur. Sciences fondamentales. 2007, Vol AFP4, Num AF6050, AF6050.1-AF6050.18Article

Optimal single-zeta description for the atoms Al through XeKOGA, T; THAKKAR, A. J.Theoretica chimica acta. 1993, Vol 85, Num 5, pp 363-370, issn 0040-5744Article

Even-tempered Roothaan-Hartree-Fock wave functions for the third- and fourth-row atomsKOGA, T; TATEWAKI, H; THAKKAR, A. J et al.Theoretica chimica acta. 1993, Vol 86, Num 6, pp 477-485, issn 0040-5744Article

A quality test for the Hartree-Fock-Roothaan SCF wave functionsSORDO, J. A; PUEYO, L.International journal of quantum chemistry. 1985, Vol 28, Num 6, pp 687-690, issn 0020-7608, part 1Article

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

Orbital and total atomic momentum expectation values with Roothaan-Hartree-Fock wave functionsGARCIA DE LA VEGA, J. M; MIGUEL, B.Atomic data and nuclear data tables. 1993, Vol 54, Num 1, pp 1-51, issn 0092-640XArticle

Hartree-Fock and Roothaan-Hartree-Fock energies for the ground states of He through XeBUNGE, C. F; BARRIENTOS, J. A; VIVER BUNGE, A et al.Physical review. A. 1992, Vol 46, Num 7, pp 3691-3696, issn 1050-2947Article

Magnetic interactions and 4-currentsAVERY, J; ANTONSEN, F.Journal of molecular structure. Theochem. 1992, Vol 261, pp 69-78, issn 0166-1280Article

  • Page / 176