P.C. Hohenberg's research while affiliated with Ecole Normale Supérieure de Paris and other places

Publications (3)

Article
This paper deals with the ground state of an interacting electron gas in an external potential v(r). It is proved that there exists a universal functional of the density, F[n(r)], independent of v(r), such that the expression E≡∫v(r)n(r)dr+F[n(r)] has as its minimum value the correct ground-state energy associated with v(r). The functional F[n(r)]...
Article
This paper deals with the ground state of an interacting electron gas in an external potential v(r). It is proved that there exists a universal functional of the density, Fn(r), independent of v(r), such that the expression Ev(r)n(r)dr+Fn(r) has as its minimum value the correct ground-state energy associated with v(r). The functional Fn(r) is then...

Citations

... In ref. 35 the (4 × 4 × 3) cell was found to model disorder at a high-quality level, that is, comparable to SQS cells of bigger sizes. The B3 X 0.5 Y 0.5 N SQS can be easily derived from the B1 X 0.5 Y 0.5 N SQS by noting that the B1 conventional unit cell turns into B3 when the N atom is shifted from the high-symmetry position 1 2 a ...
... Our first-principles calculations are based on the generalized-gradient approximation (GGA) in the Perdew-Burke-Ernzerhof (PBE) form [69][70][71][72][73] within the framework of the density-functional theory (DFT) using projector-augmented-wave (PAW) [74] wave functions as implemented in the Vienna Ab-Initio Simulation Package (VASP) [75,76]. The effect of Van-der-Waals (VdW) interactions was taken into account by using the empirical correction scheme of Grimme (DFT-D2) [77]. ...
... NiFe 2 O 4 , a multifaceted, technologically important spinel ferrite, has been synthesized by various methods such as sol-gel, hydrothermal synthesis, chemical co-precipitation, combustion, ball milling, electrodeposition, radio-frequency (RF) magnetron sputtering, etc. The structural, optical and magnetic properties of inverse spinel and mixed spinel NiFe 2 O 4 synthesized through the above methods have been analyzed experimentally by many research groups [16][17][18][19][20]. But, the number of ab initio density functional theory (DFT) [21,22] [23] have used the full-potential linearized augmented plane wave (FP-APW) method with modified Becke-Johnson (mBJ) exchange-correlation functional to reproduce the experimentally deduced optoelectronic properties of NiFe 2 O 4 . Bouferrache et al. [8] have also used the augmented plane wave plus local orbital method with full potential (FP-LAPW) to investigate the structural, optical, electronic and magnetic properties of inverse spinel NiFe 2 O 4 . ...