28 citations · 47 across the 6 of their papers we have counts for
6 papers
Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod-Teller-Muto term applied to cuboidal phase transitions
Andres Robles-Navarro, Shaun Cooper, Andreas A. Buchheit +4
This work provides a rigorous analysis of Bain-type cuboidal lattice transformations, which connect the face-centered cubic (fcc), mean-centered cubic (mcc), body-centered cubic (b…
Solving a problem with a single parameter: A smooth bcc to fcc phase transition for metallic lithium
Paul Jerabek, Anthony Burrows, Peter Schwerdtfeger
Density functional calculations for metallic lithium along a cuboidal bcc-to-fcc transformation path demonstrate that the bcc phase is quasi-degenerate with the fcc phase with a ve…
The Madelung Constant in Dimensions
Antony Burrows, Shaun Cooper, Peter Schwerdtfeger
We introduce two convergent series expansions (direct and recursive) in terms of Bessel functions and representations of sums of squares for -dimensional Madelung const…
Instability of the Body-Centered Cubic Lattice within the Sticky Hard Sphere and Lennard-Jones Model obtained from Exact Lattice Summations
Antony Burrows, Shaun Cooper, Peter Schwerdtfeger
A smooth path of rearrangement from the body-centered cubic (bcc) to the face-centered cubic (fcc) lattice is obtained by introducing a single parameter to cuboidal lattice vectors…
The Cuboidal Lattices and their Lattice Sums
Antony Burrows, Shaun Cooper, Peter Schwerdtfeger
Lattice sums of cuboidal lattices, which connect the face-centered with the mean-centered and the body-centered cubic lattices through parameter dependent lattice vectors, are eval…
The Lennard Jones Potential Revisited -- Analytical Expressions for Vibrational Effects in Cubic and Hexagonal Close-Packed Lattices
Peter Schwerdtfeger, Antony Burrows, Odile R. Smits
Analytical formulae are derived for the zero-point vibrational energy and anharmonicity corrections of the cohesive energy and the mode Grüneisen parameter within the Einstein mode…