51

Oxidation stages of organic aliphatic compounds: A classification scheme

Year:
1966
Language:
english
File:
PDF, 3.63 MB
english, 1966
53

Charge-transfer electrostatic model of compositional order in perovskite alloys

Year:
2001
Language:
english
File:
PDF, 108 KB
english, 2001
56

Born effective charges, dielectric constants, and lattice dynamics of KNbO 3

Year:
1997
Language:
english
File:
PDF, 541 KB
english, 1997
58

First-Principles Determination of Chain-Structure Instability in KNb

Year:
1995
Language:
english
File:
PDF, 463 KB
english, 1995
61

Precursor structures in ferroelectrics from first-principles calculations

Year:
1998
Language:
english
File:
PDF, 2.00 MB
english, 1998
62

cuprate superconductors: Electronic structure of

Year:
1988
Language:
english
File:
PDF, 169 KB
english, 1988
63

First-principles study of piezoelectricity in tetragonal PbTiO 3

Year:
1998
Language:
english
File:
PDF, 490 KB
english, 1998
64

and

Year:
1999
Language:
english
File:
PDF, 104 KB
english, 1999
65

Polarization dependence of Born effective charge and dielectric constant in

Year:
1996
Language:
english
File:
PDF, 149 KB
english, 1996
66

Quantum Monte Carlo Method using Phase-Free Random Walks with Slater Determinants

Year:
2003
Language:
english
File:
PDF, 114 KB
english, 2003
72

[Phys. Rev. Lett. 80, 004321 (1998)]

Year:
2005
Language:
english
File:
PDF, 41 KB
english, 2005
75

-tin transition in bulk silicon: A quantum Monte Carlo study

Year:
2009
Language:
english
File:
PDF, 203 KB
english, 2009
76

Martensitic transformation of Ca

Year:
1990
Language:
english
File:
PDF, 292 KB
english, 1990
78

Kinetic Monte Carlo simulations of crystal growth in ferroelectric alloys

Year:
2005
Language:
english
File:
PDF, 222 KB
english, 2005
80

First-principles calculations of piezoelectricity and polarization rotation in

Year:
2003
Language:
english
File:
PDF, 87 KB
english, 2003
81

First principles linear response calculations of lattice dynamics for CuCl

Year:
1994
Language:
english
File:
PDF, 210 KB
english, 1994
83

Wannier functions and Born charge tensors of brookite

Year:
2006
Language:
english
File:
PDF, 907 KB
english, 2006
86

Finite-Size Correction in Many-Body Electronic Structure Calculations

Year:
2008
Language:
english
File:
PDF, 293 KB
english, 2008
87

Instability of the ideal tungsten (001) surface

Year:
1986
Language:
english
File:
PDF, 302 KB
english, 1986
88

Auxiliary-field quantum Monte Carlo study of TiO and MnO molecules

Year:
2006
Language:
english
File:
PDF, 223 KB
english, 2006
89

Ab initio linear response study of SrTiO 3

Year:
1997
Language:
english
File:
PDF, 565 KB
english, 1997
91

Linear response calculations using lapw and mixed basis methods

Year:
1992
Language:
english
File:
PDF, 491 KB
english, 1992
92

Dynamic local distortions in KNbO 3

Year:
1999
Language:
english
File:
PDF, 205 KB
english, 1999
98

Bond breaking with auxiliary-field quantum Monte Carlo

Year:
2007
Language:
english
File:
PDF, 830 KB
english, 2007
100

Excited state calculations in solids by auxiliary-field quantum Monte Carlo

Year:
2013
Language:
english
File:
PDF, 429 KB
english, 2013