101 related articles for article (PubMed ID: 19044945)
21. A finite difference Davidson procedure to sidestep full ab initio hessian calculation: application to characterization of stationary points and transition state searches.
Sharada SM; Bell AT; Head-Gordon M
J Chem Phys; 2014 Apr; 140(16):164115. PubMed ID: 24784261
[TBL] [Abstract][Full Text] [Related]
22. Development of an efficient geometry optimization method for water clusters.
Takeuchi H
J Chem Inf Model; 2008 Nov; 48(11):2226-33. PubMed ID: 18975879
[TBL] [Abstract][Full Text] [Related]
23. A fast 2D shape recovery approach by fusing features and appearance.
Zhu J; Lyu MR; Huang TS
IEEE Trans Pattern Anal Mach Intell; 2009 Jul; 31(7):1210-24. PubMed ID: 19443920
[TBL] [Abstract][Full Text] [Related]
24. Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedure.
Baldes A; Klopper W; Simunek J; Noga J; Weigend F
J Comput Chem; 2011 Nov; 32(14):3129-34. PubMed ID: 21793004
[TBL] [Abstract][Full Text] [Related]
25. WebMTA: a web-interface for ab initio geometry optimization of large molecules using molecular tailoring approach.
Kavathekar R; Khire S; Ganesh V; Rahalkar AP; Gadre SR
J Comput Chem; 2009 May; 30(7):1167-73. PubMed ID: 18942724
[TBL] [Abstract][Full Text] [Related]
26. Objective reduction in evolutionary multiobjective optimization: theory and applications.
Brockhoff D; Zitzler E
Evol Comput; 2009; 17(2):135-66. PubMed ID: 19413486
[TBL] [Abstract][Full Text] [Related]
27. Evaluation of optimization strategies and the effect of initial conditions on IMAT optimization using a leaf position optimization algorithm.
Oliver M; Jensen M; Chen J; Wong E
Phys Med Biol; 2009 Jun; 54(11):3543-61. PubMed ID: 19454783
[TBL] [Abstract][Full Text] [Related]
28. Improved convergence in block copolymer self-consistent field theory by Anderson mixing.
Thompson RB; Rasmussen KØ; Lookman T
J Chem Phys; 2004 Jan; 120(1):31-4. PubMed ID: 15267258
[TBL] [Abstract][Full Text] [Related]
29. Identification of biomarkers for risk stratification of cardiovascular events using genetic algorithm with recursive local floating search.
Zhou X; Wang H; Wang J; Wang Y; Hoehn G; Azok J; Brennan ML; Hazen SL; Li K; Chang SF; Wong ST
Proteomics; 2009 Apr; 9(8):2286-94. PubMed ID: 19337989
[TBL] [Abstract][Full Text] [Related]
30. Consistent depth maps recovery from a video sequence.
Zhang G; Jia J; Wong TT; Bao H
IEEE Trans Pattern Anal Mach Intell; 2009 Jun; 31(6):974-88. PubMed ID: 19372604
[TBL] [Abstract][Full Text] [Related]
31. Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals.
Thorvaldsen AJ; Ruud K; Rizzo A; Coriani S
J Chem Phys; 2008 Oct; 129(16):164110. PubMed ID: 19045250
[TBL] [Abstract][Full Text] [Related]
32. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states.
Fang T; Shen J; Li S
J Chem Phys; 2008 Dec; 129(23):234106. PubMed ID: 19102525
[TBL] [Abstract][Full Text] [Related]
33. Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis.
Neese F; Hansen A; Liakos DG
J Chem Phys; 2009 Aug; 131(6):064103. PubMed ID: 19691374
[TBL] [Abstract][Full Text] [Related]
34. Eigenspace Update for Molecular Geometry Optimization in Nonredundant Internal Coordinate.
Liang W; Wang H; Hung J; Li X; Frisch MJ
J Chem Theory Comput; 2010 Jul; 6(7):2034-9. PubMed ID: 26615932
[TBL] [Abstract][Full Text] [Related]
35. Optimization method for simultaneous kinetic analysis.
Xu L; Schechter I
Anal Chem; 1996 Jun; 68(11):1842-50. PubMed ID: 21619095
[TBL] [Abstract][Full Text] [Related]
36. Locating and characterizing the stationary points of the extended Rosenbrock function.
Kok S; Sandrock C
Evol Comput; 2009; 17(3):437-53. PubMed ID: 19708775
[TBL] [Abstract][Full Text] [Related]
37. Modeling bulk and surface Pt using the "Gaussian and plane wave" density functional theory formalism: validation and comparison to k-point plane wave calculations.
Santarossa G; Vargas A; Iannuzzi M; Pignedoli CA; Passerone D; Baiker A
J Chem Phys; 2008 Dec; 129(23):234703. PubMed ID: 19102548
[TBL] [Abstract][Full Text] [Related]
38. Uncertainty reduction in intensity modulated proton therapy by inverse Monte Carlo treatment planning.
Morávek Z; Rickhey M; Hartmann M; Bogner L
Phys Med Biol; 2009 Aug; 54(15):4803-19. PubMed ID: 19622848
[TBL] [Abstract][Full Text] [Related]
39. Necessary and sufficient convergence conditions for algebraic image reconstruction algorithms.
Qu G; Wang C; Jiang M
IEEE Trans Image Process; 2009 Feb; 18(2):435-40. PubMed ID: 19095534
[TBL] [Abstract][Full Text] [Related]
40. A smooth script-l1-norm sparseness function for orbital based linear scaling total energy minimization.
Weber V; Hutter J
J Chem Phys; 2008 Feb; 128(6):064107. PubMed ID: 18282028
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]