| Work |
Au. NN Lathiotakis, Au. NI Gidopoulos, Au. N Helbig
Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory
J Chem Phys 132 (8) (2010) [doi:10.1063/1.3324699]
ISIS STFC |
Au. I Scivetti (Queen's U., Belfast), Au. J Kohanoff (Queen's U., Belfast), Au. NI Gidopoulos (STFC Rutherford Appleton Lab.)
General local and rectilinear vibrational coordinates consistent with Eckart¿s conditions
Phys Rev A 79 032516 (2009) [doi:10.1103/PhysRevA.79.032516] [application/pdf]
ISIS THEORY STFC |
Au. I Scivetti (Queen's U., Belfast), Au. J Kohanoff (Queen's U., Belfast), Au. NI Gidopoulos (STFC Rutherford Appleton Lab.)
Self-consistent geometry in the computation of the vibrational spectra of molecules
Phys Rev A 80 022516 (2009) [doi:10.1103/PhysRevA.80.022516] [application/pdf]
ISIS THEORY STFC |
Au. VN Glushkov (National U., Ukraine), Au. NI Gidopoulos (STFC Rutherford Appleton Lab.), Au. S Wilson (Oxford U.)
Alternative technique for the constrained variational problem based on an asymptotic projection method : I. Basics
Progress in Theoretical Chemistry & Physics 18 429-450 (2008) [doi:10.1007/978-1-4020-8707-3_20] [application/pdf]
ISIS THEORY STFC |
Au. VN Glushkov (National U., Ukraine), Au. NI Gidopoulos (STFC Rutherford Appleton Lab.), Au. S Wilson (Oxford U.)
Alternative technique for the constrained variational problem based on an asymptotic projection method : II. Applications to open-shell self-consistent field theory
Progress in Theoretical Chemistry & Physics 18 451-489 (2008) [doi:10.1007/978-1-4020-8707-3_21] [application/pdf]
ISIS THEORY STFC |
Au. I Scivetti (Queen's University Belfast), Au. NI Gidopoulos, Au. J Kohanoff (Queen's University Belfast)
Effect of quantization of vibrations on the structural properties of crystals
Phys Rev B 78 224108 (2008) [doi:10.1103/PhysRevB.78.224108]
CCLRC ISIS THEORY |
Au. NI Gidopoulos (STFC)
Potential in spin-density-functional theory of noncollinear magnetism determined by the many-electron ground state
Phys Rev B 75 134408 (2007) [doi:10.1103/PhysRevB.75.134408] [application/pdf]
CCLRC ISIS THEORY |
Au. VN Glushkov, Au. NI Gidopoulos (ISIS, STFC)
Constrained optimized potential method and second-order correlation energy for excited states
International Journal of Quantum Chemistry 107 (14) 2604-2615 (2007) [doi:10.1002/qua.21464]
CCLRC ISIS THEORY |
Au. IA Howard (Pisa U.), Au. C Amovilli (Antwerp U.), Au. N Gidopoulos (STFC Rutherford Appleton Lab.), Au. NH March (Oxford U.)
Exactly solvable model mimicking the H-2 molecule in the limit of large nuclear masses
Jnl Math Chem 42 (3) 603-615 (2007) [doi:10.1007/s10910-006-9136-3]
ISIS THEORY STFC |
Au. I Scivetti, Au. D Hughes, Au. N Gidopoulos, Au. A Caro, Au. J Kohanoff
Nuclear Quantum Effects on the Structural Properties of Solids
AIP Conf Proc 963 212 (2007) [doi:10.1063/1.2827006]
CCLRC ISIS THEORY |
Au. NI Gidopoulos (STFC Rutherford Appleton Lab.)
Unconstrained variational determination of the Kohn-Sham potential
Rec Prog Comp Sci & Eng 7A-B 1469-1472 (2006)
ISIS THEORY STFC |
Au. NI Gidopoulos
Breakdown of the Born-Oppenheimer description explains neutron Compton-scattering anomaly
Phys Rev B 71 054106 (2005), RAL Technical Reports, RAL-TR-2004-038 (2005) [doi:10.1103/PhysRevB.71.054106]
CCLRC ISIS THEORY |
Au. N I Gidopoulos, Au. EKU Gross
Electronic non-adiabatic states
arXiv:cond-mat/0502433 [arXiv:cond-mat/0502433]
CCLRC ISIS THEORY |
Au. S F J Cox, Au. N I Gidopoulos, Au. J S Lord, Au. M Charlton, Au. D P Van der Werf, Au. A Amato, et al (1)
The electrical activity of hydrogen and muonium in silicon at high temperatures
Physica B 340-342C 641 (2003) [doi:10.1016/j.physb.2003.09.160]
CCLRC ISIS MUONS |
Au. N I Gidopoulos
Hohenberg-Kohn theorem and constrained search formulation for diagonal spin density functional theory
in The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State, Eds N I Gidopoulos, S Wilson, Progress in Theoretical Chemistry and Physics, (Kluwer Academic Publishers, Dordrecht) vol 14 (2003)
CCLRC ISIS THEORY |
Eds. N I Gidopoulos, S Wilson
The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
Progress in Theoretical Chemistry and Physics (Kluwer Academic Publishers, Dordrecht) vol 14 (2003)
CCLRC ISIS THEORY |
Au. T Kreibich, Au. N I Gidopoulos, Au. R van Leeuwen, Au. EKU Gross
Towards time-dependent density-functional theory for molecules in strong laser pulses
in The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State, Eds N I Gidopoulos, S Wilson, Progress in Theoretical Chemistry and Physics, (Kluwer Academic Publishers, Dordrecht) vol 14 (2003)
CCLRC ISIS THEORY |
Au. N I Gidopoulos, Au. PG Papaconstantinou, Au. EKU Gross
Ensemble-Hartree-Fock scheme for excited states. The optimized effective potential method
Physica B 318 328 (2002) [doi:10.1016/S0921-4526(02)00799-8]
CCLRC ISIS THEORY |
Au. N I Gidopoulos
Foundations of Density Functional Theory
in The Handbook of Molecular Physics and Quantum Chemistry, Ed S Wilson, Vol. 1, Exact Results, John Wiley and Sons, (2002)
CCLRC ISIS THEORY |
Au. N I Gidopoulos, Au. PG Papaconstantinou, Au. EKU Gross
Spurious interactions, and their correction, in the Ensemble-Kohn-Sham scheme for excited states
Phys Rev Lett 88 033003 (2002) [doi:10.1103/PhysRevLett.88.033003]
CCLRC ISIS THEORY |
