A REMARK ON THE RELATION BETWEEN THE ORBITAL ENERGIES AND THE TOTAL ENERGY IN MOLECULES CALCULATED BY A SEMIEMPIRICAL METHOD.WHITEHEAD MA.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 1; PP. 497-498; BIBL. 10 REF.Article

LOCALIZATION OF MOLECULAR ORBITALSTSENG TJ; WHITEHEAD MA.1983; FARADAY TRANSACTIONS 2; ISSN 0300-9238; GBR; DA. 1983; VOL. 79; NO 1; PP. 37-40; BIBL. 16 REF.Article

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A CONSTRAINED ROOTHAAN-HARTREE-FOCK METHODZEISS GD; WHITEHEAD MA.1983; CANADIAN JOURNAL OF CHEMISTRY; ISSN 0008-4042; CAN; DA. 1983; VOL. 61; NO 1; PP. 128-134; ABS. FRE; BIBL. 80 REF.Article

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THE HAMMERSTEIN INTEGRAL EQUATION. A GENERAL TECHNIQUE FOR CONSTRUCTING A RAPIDLY CONVERGENT PADE-TYPE APPROXIMATION TO THE LOGARITHMIC DERIVATIVE.PULFER JD; WHITEHEAD MA.1974; INTERNATION. J. QUANTUM. CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 5; PP. 693-706; ABS. FR. ALLEM.; BIBL. 10 REF.Article

EMPIRICAL PENETRATION FUNCTIONS AND TWO-CENTER ELECTRON REPULSION INTEGRALS FOR SEMIEMPIRICAL CALCULATIONS OF ELECTRONIC STRUCTUREPARRY DE; WHITEHEAD MA.1982; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 2; PP. 265-268; BIBL. 13 REF.Article

LOCALIZED MOLECULAR ORBITAL ENERGIES WITHIN THE CNDO/BW FORMULATIONTSENG TJ; WHITEHEAD MA.1982; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 4; PP. 552-555; BIBL. 20 REF.Article

METHOD TO INTRODUCE COULOMB-HOLE CORRELATION IN THE XALPHA THEORYMANOLI S; WHITEHEAD MA.1981; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1981; VOL. 23; NO 5; PP. 2150-2155; BIBL. 16 REF.Article

HELLMANN-FEYNMAN AND VIRIAL THEOREMS AND THE TOTAL ENERGY OF MOLECULES.GOPINATHAN MS; WHITEHEAD MA.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 1; PP. 196-200; BIBL. 18 REF.Article

RADIAL ANALYSIS OF THE ELECTRIC FIELD GRADIENT AT THE CL NUCLEUS IN HCL.GRABENSTETTER JE; WHITEHEAD MA.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 37; NO 3; PP. 547-550; BIBL. 12 REF.Article

A SELF-CONSISTENT FIELD WAVEFUNCTION SUITED FOR CALCULATION OF THE ELECTRIC FIELD GRADIENT IN HCL.GRABENSTETTER JE; WHITEHEAD MA.1976; CANAD. J. CHEM.; CANADA; DA. 1976; VOL. 54; NO 12; PP. 1948-1951; ABS. FR.; BIBL. 12 REF.Article

COMPARISON OF RHF, NDDO, AND MOM MOLECULAR ONE-ELECTRON EXPECTATION VALUES CALCULATED USING WEIGHTED AND UNWEIGHTED STO-NG(W) BASIS FUNCTIONSZEISS GD; WHITEHEAD MA.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 48-52; BIBL. 41 REF.Article

SELF-CONSISTENT-FIELD-XI A METHOD: THE ATOMIC PROPERTIES OF SEVERAL ATOMS USING THEORETICAL A PARAMETERS DERIVED FROM THE FERMI HOLETSENG TJ; WHITEHEAD MA.1981; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1981; VOL. 24; NO 1; PP. 21-28; BIBL. 18 REF.Article

APPARENT SPIN-SPIN RELAXATION TIME T₂* FOR AN AGED SINGLE CRYSTAL OF P-DICHLOROBENZENE USING A SUPERREGENERATIVE SPECTROMETERMELNICK SJ; WHITEHEAD MA.1981; FARADAY TRANS. 2; ISSN 0300-9238; GBR; DA. 1981; VOL. 77; NO 1; PP. 119-122; BIBL. 17 REF.Article

ONE-CENTRE-EXPANSION SELF-CONSISTENT-FIELD (OCE-SCF) CALCULATIONS ON HCL. III. ELECTRIC FIELD GRADIENT (EFG) OF THE 16 MOLECULAR ORBITAL AND THE STERNHEIMER EFFECT.GRABENSTETTER JE; WHITEHEAD MA.1978; J. CHEM. SOC. FARADAY TRANS., 2; G.B.; DA. 1978; VOL. 74; NO 1; PP. 1-10; BIBL. 29 REF.Article

COMPARING THE ELECTRIC FIELD GRADIENT AT CHLORINE FROM TWO-CENTRE AND ONE-CENTRE WAVEFUNCTION EXPANSION CALCULATIONS ON HCL.GRABENSTETTER JE; WHITEHEAD MA.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 34; NO 6; PP. 1577-1582; BIBL. 24 REF.Article

A PLAIN MAN'S VIEW OF THE MUFFIN-TIN APPROXIMATION IN MOLECULAR CALCULATIONS, AND THE SOLID STATE.GRANT IP; WHITEHEAD MA.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 32; NO 4; PP. 1181-1185; BIBL. 18 REF.Article

THE REPRESENTATION OF THE SO(4,1) GROUP IN FOUR-DIMENSIONAL EUCLIDEAN AND SPINOR SPACE.BODGANOVIC R; WHITEHEAD MA.1975; J. MATH. PHYS.; U.S.A.; DA. 1975; VOL. 16; NO 2; PP. 400-409; BIBL. 21 REF.Article

HAMMERSTEIN INTEGRAL EQUIVALENT OF RICCATI'S EQUATION.PULFER JD; WHITEHEAD MA.1974; INTERNATION. J. QUANTUM. CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 5; PP. 677-692; ABS. FR. ALLEM.; BIBL. 11 REF.Article

DEPENDENCE OF THE ONE-ELECTRON EIGENVALUES, EPSILON _I, AND THE TOTAL ENERGY, E, ON THE ALPHA PARAMETER IN THE HARTREE-FOCK-SLATER SCHEME FOR ATOMSROONEY B; TSENG TJ; WHITEHEAD MA et al.1980; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1980; VOL. 22; NO 4; PP. 1375-1382; BIBL. 26 REF.Article

FACTORIZATION OF THE EVOLUTION OPERATOR FOR A SPIN-ORBIT COUPLED SYSTEM IN AN EXTERNAL MAGNETIC FIELD FOR AN ARBITRARY L AND S=1/2.BOGDANOVIC R; WHITEHEAD MA; GOPINATHAN MS et al.1976; CANAD. J. PHYS.; CANADA; DA. 1976; VOL. 54; NO 23; PP. 2295-2305; ABS. FR.; BIBL. 30 REF.Article

THE IONICITY OF THE SI-O BOND IN LOW-QUARTZSTEWART RF; WHITEHEAD MA; DONNAY G et al.1980; AMER. MINERALOGIST; USA; DA. 1980; VOL. 65; NO 3-4; PP. 324-326; BIBL. 20 REF.Article

THE SCF XI _A-SW METHOD: THE ONE-ELECTRON EIGENVALUES AND TOTAL ENERGIES FOR EVEN-Z ATOMS, NE TO ARTSENG TJ; HONG SH; WHITEHEAD MA et al.1980; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 21; PP. 4101-4109; BIBL. 25 REF.Article

THE FERMI HOLE AND THE EXCHANGE PARAMETER IN X_ALPHA THEORY.GOPINATHAN MS; WHITEHEAD MA; BOGDANOVIC R et al.1976; PHYS. REV., A; U.S.A.; DA. 1976; VOL. 14; NO 1; PP. 1-10; BIBL. 18 REF.Article