Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional von Maximoff, Sergey N, Ernzerhof, Matthias, Scuseria, Gustavo E

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Assessment of Density Functionals for Predicting One-Bond Carbon−Hydrogen NMR Spin−Spin Coupling Constants von Maximoff, Sergey N, Peralta, Juan E, Barone, Verónica, Scuseria, Gustavo E

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Nuclear magnetic resonance shielding tensors calculated with kinetic energy density-dependent exchange-correlation functionals von Maximoff, Sergey N., Scuseria, Gustavo E.

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Ab initio carbon capture in open-site metal-organic frameworks von Dzubak, AL, Lin, LC, Kim, J, Swisher, JA, Poloni, R, Maximoff, SN, Smit, B, Gagliardi, L

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Challenge of creating accurate and effective kinetic-energy functionals von Iyengar, Srinivasan S., Ernzerhof, Matthias, Maximoff, Sergey N., Scuseria, Gustavo E.

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Exchange energy functionals based on the full fourth-order density matrix expansion von Maximoff, Sergey N., Scuseria, Gustavo E.

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Functionals of the square kinetic energy density von Maximoff, Sergey N., Ernzerhof, Matthias, Scuseria, Gustavo E.

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Functionals of quantities other than the electron density: Approximations to the exchange energy von Ernzerhof, Matthias, Maximoff, Sergey N., Scuseria, Gustavo E.

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Graph-theoretical study of the nodal structure of the degenerate-state wave functions von Maximoff, Sergey N., Shpilkin, Sergey A., Smolenskii, Evgenii A.

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Role of Wave Functions' Nodal Surfaces in Interpretation of the Pauli Principle von Smolenskii, Evgenii A, Aristov, Peter P, Itshenko, Sergey Ya, Shpilkin, Sergey A, Maximoff, Sergey N

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