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Jonathan Boettger
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Nonconvergence of surface energies obtained from thin-film calculations
JC Boettger
Physical Review B 49 (23), 16798, 1994
3651994
Metastability and dynamics of the shock-induced phase transition in iron
JC Boettger, DC Wallace
Physical Review B 55 (5), 2840, 1997
2271997
First-principles calculation of the spin-orbit splitting in graphene
JC Boettger, SB Trickey
Physical Review B 75 (12), 121402, 2007
2122007
Interplanar binding and lattice relaxation in a graphite dilayer
SB Trickey, F Müller-Plathe, GHF Diercksen, JC Boettger
Physical Review B 45 (8), 4460, 1992
1901992
Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model
AB Alchagirov, JP Perdew, JC Boettger, RC Albers, C Fiolhais
Physical Review B 63 (22), 224115, 2001
1782001
All-electron full-potential calculation of the electronic band structure, elastic constants, and equation of state for graphite
JC Boettger
Physical Review B 55 (17), 11202, 1997
1681997
Approximate two-electron spin-orbit coupling term for density-functional-theory DFT calculations using the Douglas-Kroll-Hess transformation
JC Boettger
Physical Review B 62 (12), 7809, 2000
1482000
Theoretical atomic volumes of the light actinides
MD Jones, JC Boettger, RC Albers, DJ Singh
Physical Review B 61 (7), 4644, 2000
1412000
High-precision calculation of the equation of state and crystallographic phase stability for aluminum
JC Boettger, SB Trickey
Physical Review B 53 (6), 3007, 1996
1201996
Equation of state and properties of lithium
JC Boettger, SB Trickey
Physical Review B 32 (6), 3391, 1985
1131985
Charge separation and covalent bonding in metal oxide surfaces: A local density functional study on the MgO (001) surface
U Birkenheuer, JC Boettger, N Rösch
The Journal of chemical physics 100 (9), 6826-6836, 1994
961994
Quantum size effects in equilibrium lithium ultrathin layers
JC Boettger, SB Trickey
Physical Review B 45 (3), 1363, 1992
921992
Fully relativistic density functional calculations on hydroxylated actinide oxide surfaces
JC Boettger, AK Ray
International journal of quantum chemistry 90 (4‐5), 1470-1477, 2002
882002
Persistent quantum-size effect in aluminum films up to twelve atoms thick
JC Boettger
Physical Review B 53 (19), 13133, 1996
871996
High-precision, all-electron, full-potential calculation of the equation of state and elastic constants of corundum
JC Boettger
Physical Review B 55 (2), 750, 1997
821997
Structure and properties of a beryllium dilayer
JC Boettger, SB Trickey
Physical Review B 32 (2), 1356, 1985
771985
Theoretical structural phase stability of BeO to 1 TPa
JC Boettger, JM Wills
Physical Review B 54 (13), 8965, 1996
691996
Extracting convergent surface formation energies from slab calculations
JC Boettger, JR Smith, U Birkenheuer, N Rösch, SB Trickey, JR Sabin, ...
Journal of Physics: Condensed Matter 10 (4), 893, 1998
681998
Equation of state calculations using the LCGTOFF method: Equilibrium properties of hcp beryllium
JC Boettger
International Journal of Quantum Chemistry 56 (S29), 197-202, 1995
66*1995
All‐electron LCGTO calculations for uranium dioxide
JC Boettger, AK Ray
International Journal of Quantum Chemistry 80 (4‐5), 824-830, 2000
592000
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