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kw.\*:("FROZEN CORE APPROXIMATION")

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Results 1 to 25 of 234

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AB INITIO CALCULATION OF ATOMIC NEGATIVE-ION STATES IN THE POLARIZED FROZEN-CORE APPROXIMATION. I. THE ATTACHMENT ENERGIES FOR O-(2P0) AND C-(4S0).LE DOURNEUF M; VO KY LAN.1977; J. PHYS. B; G.B.; DA. 1977; VOL. 10; NO 4; PP. L97-L103; BIBL. 28 REF.Article

APPROCHE SUCCESSIVE DE LA CONSTRUCTION D'UN POTENTIEL MODELE POUR LES ELECTRONS DE VALENCEBAGATUR'YANTS AA; KUZ'MINSKIJ MB; ZHIDOMIROV GM et al.1981; Z. FIZ. HIM.; ISSN 0044-4537; SUN; DA. 1981; VOL. 55; NO 11; PP. 2752-2758; BIBL. 8 REF.Article

PERTURBED HARTREE-FOCK WAVEFUNCTIONS FOR LITHIUMMURPHY G; STEWART AL.1978; J. PHYS. B; GBR; DA. 1978; VOL. 11; NO 22; PP. L685-L688; BIBL. 11 REF.Article

SATELLITE STRUCTURE IN ATOMIC SPECTRA. IV: THE L23-MM AUGER SPECTRUM OF ARGONDYALL KG; LARKINS FP.1982; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1982; VOL. 15; NO 17; PP. 2793-2806; BIBL. 22 REF.Article

THE POLARIZED FROZEN-CORE APPROXIMATION: APPLICATION TO IONIZATION ENERGIES AND OSCILLATOR STRENGTHS FOR BERYLLIUMCOHEN M; MCEACHRAN RP.1979; J. QUANT. SPECTROSC. RAD. TRANSFER; GBR; DA. 1979; VOL. 21; NO 1; PP. 1-9; BIBL. 30 REF.Article

THE PHOTOIONISATION OF HELIUM USING PERTURBATION THEORY.STEWART AL.1978; J. PHYS. B.; GBR; DA. 1978; VOL. 11; NO 14; PP. 2449-2455; BIBL. 15 REF.Article

LAGRANGIAN MULTIPLIERS IN FROZEN CORE HARTREE-FOCK CALCULATIONS.KEH NING HUANG.1977; PHYS. LETTERS, A; NETHERL.; DA. 1977; VOL. 64; NO 1; PP. 39-40; BIBL. 9 REF.Article

LAGRANGIAN MULTIPLIERS IN FROZEN CORE DIRAC-FOCK CALCULATIONS.KEH NING HUANG.1978; PHYS. LETTERS, A; NLD; DA. 1978; VOL. 67; NO 2; PP. 113-115; BIBL. 8 REF.Article

Frozen orbital effects in the computation of excitation energies of the iron atomPELISSIER, M; DAVIDSON, E. R.International journal of quantum chemistry. 1984, Vol 25, Num 3, pp 483-491, issn 0020-7608Article

Comment on the validity of the pseudopotential frozen core approximationFÄHNLE, M; ELSÄSSER, C.Physica status solidi. B. Basic research. 1992, Vol 172, Num 1, pp K11-K13, issn 0370-1972Article

CONFIGURATION INTERACTION AND PERTURBATION STUDY OF THE ELECTRON CORRELATION CONTRIBUTION TO THE DIPOLE POLARIZABILITY OF BERYLLIUMDIERCKSEN GHF; SADLEJ AJ.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 65; NO 3; PP. 407-415; BIBL. 59 REF.Article

RELATIVISTIC MODIFICATIONS OF COVALENT BONDING IN HEAVY ELEMENTS. CALCULATIONS FOR TLHPITZER KS; CHRISTIANSEN PA.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 77; NO 3; PP. 589-592; BIBL. 13 REF.Article

A GAUSSIAN BASIS FOR RYDBERG ORBITALSJUNGEN M.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 1; PP. 750-751; BIBL. 12 REF.Article

LOCAL APPROXIMATIONS FOR THE EXCHANGE INTERACTION BETWEEN VALENCE AND CORE ELECTRONSMIGDALEK J; BAYLIS WE.1980; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1980; VOL. 22; NO 1; PP. 22-27; BIBL. 17 REF.Article

POSITRON SCATTERING FROM KRYPTON AND XENONMCEACHRAN RP; STAUFFER AD; CAMPBELL LEM et al.1980; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 6; PP. 1281-1292; BIBL. 17 REF.Article

INFLUENCE DE LA METHODE DE DETERMINATION DES FONCTIONS D'ONDE DES ETATS EXCITES SUR LES VALEURS CALCULEES DES FORCES D'OSCILLATEURKUPLYAUSKIS ZI.1980; OPT. I SPEKTROSK.; SUN; DA. 1980; VOL. 48; NO 2; PP. 209-212; BIBL. 14 REF.Article

CALCULATION OF DOUBLY EXCITED ENERGY LEVELS OF RARE-GAS ATOMS BY A FROZEN-CORE SUPERPOSITION OF CONFIGURATIONS METHOD. III: EVEN-PARITY LEVELS OF NEONLANGLOIS J; SICHEL JM.1980; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 16; PP. 3109-3116; BIBL. 15 REF.Article

ON PI -SHELL PHOTOIONIZATION IN MOLECULAR NITROGENRESCIGNO TN; GERWER A; MCKOY BV et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 66; NO 1; PP. 116-120; BIBL. 34 REF.Article

AB INITIO TREATMENT OF FINAL-STATE SPIN-ORBIT INTERACTIONS: PHOTOIONIZATION OF THE 6S ELECTRON IN CESIUMKEH NING HUANG; STARACE AF.1979; PHYS. REV., A; USA; DA. 1979; VOL. 19; NO 6; PP. 2335-2346; BIBL. 37 REF.Article

THEORETICAL IONIZATION ENERGIES AND OSCILLATOR STRENGTHS FOR CARBONCOHEN M; MCEACHRAN RP.1978; J. QUANT. SPECTROSC. RAD. TRANSFER; GBR; DA. 1978; VOL. 20; NO 3; PP. 295-303; BIBL. 15 REF.Article

THEORETICAL STUDY OF NE-NE COLLISIONS.GAUYACQ JP.1978; J. PHYS. B; G.B.; DA. 1978; VOL. 11; NO 1; PP. 85-113; BIBL. 38 REF.Article

ON THE INTERPRETATION OF HUND'S RULES IN ATOMIC SPECTRA.PYPER NC; GRANT IP.1977; J. PHYS. B; G.B.; DA. 1977; VOL. 10; NO 10; PP. 1803-1814; BIBL. 31 REF.Article

THE POLARIZED FROZEN CORE APPROXIMATION: ENERGIES AND OSCILLATOR STRENGTHS OF C(I) AND N(II)MCEACHRAN RP; COHEN M.1982; J. QUANT. SPECTROSC. RADIAT. TRANSFER; ISSN 0022-4073; GBR; DA. 1982; VOL. 27; NO 2; PP. 119-126; BIBL. 14 REF.Article

MULTIPLE POLARIZABILITIES AND SHIELDING FACTORS OF THE LITHIUM ATOM FROM THE HYDRODYNAMIC ANALOGY TO QUANTUM MECHANICS.SHUKLA GC; SURI SK; MISHO RH et al.1977; SOLID STATE COMMUNIC.; G.B.; DA. 1977; VOL. 23; NO 1; PP. 67-69; BIBL. 8 REF.Article

EXPANDED ELECTRONIC STATES OF THE FLUORINE MOLECULE.DEMOULIN D; JUNGEN M.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 16; NO 3; PP. 311-318; BIBL. 31 REF.Article

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