DOI: 10.1007/bf01127809. An analytical expression for interatomic surfaces in the theory of atoms in molecules

An analytical expression for interatomic surfaces in the theory of atoms in molecules

10.1007/bf01127809

Crossref journal-article

Springer Science and Business Media LLC

Theoretica Chimica Acta (297)

Bibliography

Popelier, P. L. A. (1994). An analytical expression for interatomic surfaces in the theory of atoms in molecules. Theoretica Chimica Acta, 87(6), 465â476.

Authors 1

P. L. A. Popelier (first)

References 29 Referenced 53

Bader RFW (1990) in: Atoms in molecules. A quantum theory. Clarendon, Oxford (10.1093/oso/9780198551683.001.0001) / Atoms in molecules. A quantum theory by RFW Bader (1990)
Biegler-K�nig FW, Nguyen-Dang TT, Tal Y, Bader RFW, Duke AJ (1981) J Phys B: At Mol Phys 14:2739, (10.1088/0022-3700/14/16/004) / J Phys B: At Mol Phys by FW Biegler-K�nig (1981)
Biegler-K�nig FW, Bader RFW, Tang TH (1982) J Comp Chem 13:317 (10.1002/jcc.540030306) / J Comp Chem by FW Biegler-K�nig (1982)
Bader RFW, Wiberg KB (1987) in: Erdahl R, Smith VH Jr (eds) Density matrices and density functionals. p 677
Bader RFW, Nguyen-Dang TT (1981) Adv Quant Chem 14:63. (10.1016/S0065-3276(08)60326-3) / Adv Quant Chem by RFW Bader (1981)
Bader RFW, Popelier PLA (1993) Int J Quant Chem 45:189 (10.1002/qua.560450206) / Int J Quant Chem by RFW Bader (1993)
Verhulst F (1990) Nonlinear differential equations and dynamical systems. Springer, Berlin (10.1007/978-3-642-97149-5) / Nonlinear differential equations and dynamical systems by F Verhulst (1990)
Attempts to pursue this approach beyond second order lead to serious difficulties, one of which is the diagonalization of higher order tensors
Reinhard H (1986) Differential equations. Foundations and applications. North Oxford Academic, UK / Differential equations. Foundations and applications by H Reinhard (1986)
Milne RD (1980) Applied functional analysis. Pitman, MA / Applied functional analysis by RD Milne (1980)
Nagle RK, Saff EB (1986) Fundamentals of differential equations. Benjamin, USA / Fundamentals of differential equations by RK Nagle (1986)
Adomian GA (1989) Nonlinear stochastic system theory and applications to physics. Kluwer, Dordrecht (10.1007/978-94-009-2569-4) / Nonlinear stochastic system theory and applications to physics by GA Adomian (1989)
Baker GA Jr (1975) Essentials of Pad� approximants. Adademic, NY / Essentials of Pad� approximants by GA Baker Jr (1975)
Char BW, Geddes KO, Gonnet GH, Watt SM (1990) Maple reference manual. Watcom Publ, Waterloo, Canada / Maple reference manual by BW Char (1990)
Kowalski K, Steeb WH (1986) Nonlinear dynamical systems and Carleman linearization. World Scientific, Singapore / Nonlinear dynamical systems and Carleman linearization by K Kowalski (1986)
Note that this function is separable, i.e. it can be expressed as a product of two summations, each in one single variable. This facilitates partial differentiation and integration off i (l, ?)
Press WH, Flannery BP, Tenkolsky SA, Vetterling WT (1986) Numerical recipes. Cambridge Press, UK / Numerical recipes by WH Press (1986)
Rivlin TJ (1990) Chebyshev Polynomials. From approximation theory to algebra and number theory, Wiley, US, p. 166ff. / Chebyshev Polynomials. From approximation theory to algebra and number theory by TJ Rivlin (1990)
Dahlquist G Bj�rck (1984) Numerical methods. Prentice-Hall, NJ / Numerical methods by Dahlquist G Bj�rck (1984)
More precisely, a low order coefficientc n of the Chebyshev polynomialT n in an expansion withN sampled points (N ?n) is very close to the same coefficientc n obtained in another expansion withM sampled points, ifM is not too different fromN
Popelier PLA (1992) Program MORPHY, McMaster Univ.
Gaussian 92 (1992) Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Wong MW, Foresman JB, Johnson BG, Schlegel HB, Robb MA, Replogle ES, Gomperts R, Andres JL, Raghavachari K, Binkley JS, Gonzalez C, Martin RL, Fox DJ, DeFrees DJ, Baker J, Stewart JP, Pople JA, Gaussian Inc, Pittsburgh, PA
Hariharan PC, Pople JA (1972) Chem Phys Lett 16:217 (10.1016/0009-2614(72)80259-8) / Chem Phys Lett by PC Hariharan (1972)
Frisch MJ, Pople JA, Binkley JS (1984) J Chem Phys 80:3265, (10.1063/1.447079) / J Chem Phys by MJ Frisch (1984)
Clark T, Chandrasekhar J, Spitznagle GW, v.R. Schleyer P (1983) J Comp Chem 4:294 (10.1002/jcc.540040303) / J Comp Chem by T Clark (1983)
Struik Dirk J (1961) Differential geometry. Addison-Wesley, London / Differential geometry by J Struik Dirk (1961)
Marsden JE, Tromba JA (1981) Vector calculus. Freeman, San Fran / Vector calculus by JE Marsden (1981)
Gradshteyn IS, Ryzhnik IM (1965) Table of integrals, series and products. Academic Press, NJ / Table of integrals, series and products by IS Gradshteyn (1965)
Daudel R, Leroy G, Peeters D, Sana M (1983) Quantum chemistry. Wiley, UK / Quantum chemistry by R Daudel (1983)

Dates

Type	When
Created	20 years, 6 months ago (Feb. 6, 2005, 6:34 a.m.)
Deposited	1 year, 7 months ago (Jan. 22, 2024, 3:12 a.m.)
Indexed	1 month, 3 weeks ago (July 2, 2025, 1:52 p.m.)
Issued	31 years, 6 months ago (Feb. 1, 1994)
Published	31 years, 6 months ago (Feb. 1, 1994)
Published Print	31 years, 6 months ago (Feb. 1, 1994)

Funders 0

None

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