Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave …
SR Billeter, A Curioni, W Andreoni - Computational materials science, 2003 - Elsevier
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …
[PDF][PDF] Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane …
SR Billeter, A Curioni, W Andreoni - Computational Materials Science, 2003 - academia.edu
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …
[PDF][PDF] Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane …
SR Billeter, A Curioni… - Computational …, 2003 - theochem.ruhr-uni-bochum.de
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …
Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave …
SR Billeter, A Curioni, W Andreoni - Computational Materials Science, 2003 - elibrary.ru
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …
[引用][C] Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane …
SR BILLETER, A CURIONI… - Computational …, 2003 - pascal-francis.inist.fr
Efficient linear scaling geometry optimization and transition-state search for direct wavefunction
optimization schemes in density functional theory using a plane-wave basis CNRS Inist …
optimization schemes in density functional theory using a plane-wave basis CNRS Inist …
Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave …
SR Billeter, A Curioni, W Andreoni - Computational Materials Science, 2003 - infona.pl
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …
Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave …
SR Billeter, A Curioni, W Andreoni - Computational Materials …, 2003 - research.ibm.com
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …
[引用][C] Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane …
SR Billeter, A Curioni, W Andreoni - Computational Materials Science, 2003 - cir.nii.ac.jp
Efficient linear scaling geometry optimization and transition-state search for direct wavefunction
optimization schemes in density functional theory using a plane-wave basis | CiNii Research …
optimization schemes in density functional theory using a plane-wave basis | CiNii Research …
[PDF][PDF] Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane …
SR Billeter, A Curioni, W Andreoni - Computational Materials …, 2003 - theochem.rub.de
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …
[PDF][PDF] Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane …
SR Billeter, A Curioni, W Andreoni - Computational Materials Science, 2003 - academia.edu
Two linear scaling schemes for the search of stationary points on the nuclear potential
energy surface have been developed and implemented for density functional theory …
energy surface have been developed and implemented for density functional theory …