Robust and variational fitting von DUNLAP, B. I

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Efficient quantum-chemical geometry optimization and the structure of large icosahedral fullerenes von Dunlap, Brett I., Zope, Rajendra R.

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Electronic structure of fullerenelike cages and finite nanotubes of aluminum nitride von ZOPE, Rajendra R, DUNLAP, Brett I

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Are hemispherical caps of boron–nitride nanotubes possible? von Zope, Rajendra R, Dunlap, Brett I

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ARE FULLERENE TUBULES METALLIC von MINTMIRE, JW, DUNLAP, BI, WHITE, CT

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Angular momentum in molecular quantum mechanical integral evaluation von Dunlap, Brett I.

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Analytic and Variational Xα in the Slater−Roothaan Method von Dunlap, Brett I

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Electronic structure, vibrational stability, infra-red, and Raman spectra of B24N24 cages von Zope, Rajendra R, Baruah, Tunna, Pederson, Mark R, Dunlap, Brett I

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The limitations of Slater's element-dependent exchange functional from analytic density-functional theory von Zope, Rajendra R, Dunlap, Brett I

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Angular momentum in solid-harmonic-Gaussian integral evaluation von Dunlap, Brett I.

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Accurate molecular energies by extrapolation of atomic energies using an analytic quantum mechanical model von ZOPE, Raiendra R, DUNLAP, Brett I

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Slater's Exchange Parameters α for Analytic and Variational Xα Calculations von Zope, Rajendra R, Dunlap, Brett I

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Giant magnetic moments in 4d clusters von REDDY, B. V, KHANNA, S. N, DUNLAP, B. I

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On the optimal value of α for the Hartree–Fock–Slater method von Zope, Rajendra R., Dunlap, Brett I.

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Fractional occupation numbers and density functional energy gradients within the linear combination of Gaussian-type orbitals approach von Warren, R.W., Dunlap, B.I.

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Attachment of two electrons to C60F48: Coulomb barriers in doubly charged anions von Jin, C, Hettich, RL, Compton, RN, Tuinman, A, Derecskei-Kovacs, A, Marynick, DS, Dunlap, BI

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Quantum chemical molecular dynamics von Dunlap, Brett I.

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Fitting the Coulomb potential variationally in X α molecular calculations von Dunlap, B. I.

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Robust and variational fitting: Removing the four-center integrals from center stage in quantum chemistry von Dunlap, B.I.

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Local-density-functional study of the fullerenes, graphene and graphite von Dunlap, B I, Boettger, J C

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