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1.
First-principles molecular-dynamics simulations for neutral p-chloranil and its radical anion.
Katan C; Blöchl PE; Margl P; Koenig C.
Phys Rev B Condens Matter ; 53(18): 12112-12120, 1996 May 01.
Article in English | MEDLINE | ID: mdl-9982839
2.
Ab initio molecular-dynamics study of diffusion and defects in solid Li3N.
Sarnthein J; Schwarz K; Blöchl PE.
Phys Rev B Condens Matter ; 53(14): 9084-9091, 1996 Apr 01.
Article in English | MEDLINE | ID: mdl-9982409
3.
Projector augmented-wave method.
Blöchl PE.
Phys Rev B Condens Matter ; 50(24): 17953-17979, 1994 Dec 15.
Article in English | MEDLINE | ID: mdl-9976227
4.
Improved tetrahedron method for Brillouin-zone integrations.
Blöchl PE; Jepsen O; Andersen OK.
Phys Rev B Condens Matter ; 49(23): 16223-16233, 1994 Jun 15.
Article in English | MEDLINE | ID: mdl-10010769
5.
Adsorption and scanning-tunneling-microscope imaging of benzene on graphite and MoS2.
Fisher AJ; Blöchl PE.
Phys Rev Lett ; 70(21): 3263-3266, 1993 May 24.
Article in English | MEDLINE | ID: mdl-10053824
6.
First-principles calculations of self-diffusion constants in silicon.
Blöchl PE; Smargiassi E; Car R; Laks DB; Andreoni W; Pantelides ST.
Phys Rev Lett ; 70(16): 2435-2438, 1993 Apr 19.
Article in English | MEDLINE | ID: mdl-10053561
7.
First-principles calculations of hyperfine parameters.
Van de Walle CG; Blöchl PE.
Phys Rev B Condens Matter ; 47(8): 4244-4255, 1993 Feb 15.
Article in English | MEDLINE | ID: mdl-10006568
8.
Native defects and self-compensation in ZnSe.
Laks DB; Van de Walle CG; Neumark GF; Blöchl PE; Pantelides ST.
Phys Rev B Condens Matter ; 45(19): 10965-10978, 1992 May 15.
Article in English | MEDLINE | ID: mdl-10001018
9.
Adiabaticity in first-principles molecular dynamics.
Blöchl PE; Parrinello M.
Phys Rev B Condens Matter ; 45(16): 9413-9416, 1992 Apr 15.
Article in English | MEDLINE | ID: mdl-10000808
10.
Phase boundary of superconducting networks: A new approximation scheme.
Chi CC; Santhanam P; Blöchl PE.
Phys Rev B Condens Matter ; 42(1): 76-79, 1990 Jul 01.
Article in English | MEDLINE | ID: mdl-9994511
11.
Generalized separable potentials for electronic-structure calculations.
Blöchl PE.
Phys Rev B Condens Matter ; 41(8): 5414-5416, 1990 Mar 15.
Article in English | MEDLINE | ID: mdl-9994411
12.
First-principles calculations of diffusion coefficients: Hydrogen in silicon.
Blöchl PE; Van de Walle CG; Pantelides ST.
Phys Rev Lett ; 64(12): 1401-1404, 1990 Mar 19.
Article in English | MEDLINE | ID: mdl-10041386
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