trunk/multipole/multipole.bib

%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/


%% Created for Dan Gezelter at 2013-07-10 11:24:29 -0400 


%% Saved with string encoding Unicode (UTF-8) 


@article{Aguado03,
        Author = {A. Aguado and P.~A. Madden},
        Date-Added = {2013-07-10 15:18:11 +0000},
        Date-Modified = {2013-07-10 15:18:11 +0000},
        Doi = {10.1063/1.1605941},
        Journal = {J. Chem. Phys.},
        Number = {14},
        Pages = {7471-7483},
        Title = {Ewald summation of electrostatic multipole interactions up to the quadrupolar level},
        Volume = {119},
        Year = {2003},
        Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1605941}}

@article{deLeeuw80,
        Author = {S.~W. {de Leeuw} and J.~W. Perram and E.~R. Smith},
        Date-Added = {2013-07-10 15:18:02 +0000},
        Date-Modified = {2013-07-10 15:18:02 +0000},
        Journal = {Proc. R. Soc. London Ser. A},
        Number = {1752},
        Pages = {27-56},
        Title = {Simulation of Electostatic Systems in Periodic Boundary Conditions. \uppercase{I. L}attice Sums and Dielectric Constants},
        Volume = {373},
        Year = {1980}}

@article{Smith81,
        Author = {E.~R. Smith},
        Date-Added = {2013-07-10 15:18:02 +0000},
        Date-Modified = {2013-07-10 15:18:02 +0000},
        Journal = {Proc. R. Soc. London Ser. A},
        Pages = {475-505},
        Title = {Electrostatic Energy in Ionic Crystals},
        Volume = {375},
        Year = {1981}}

@article{Smith82,
        Author = {W. Smith},
        Date-Added = {2013-07-10 15:18:02 +0000},
        Date-Modified = {2013-07-10 15:24:21 +0000},
        Journal = {CCP5 Information quarterly},
        Pages = {13-25},
        Title = {Point multipoles in the \uppercase{E}wald summation},
        Volume = 4,
        Year = 1982}

@article{Smith96,
        Author = {W. Smith and T. Forester},
        Date-Added = {2013-07-10 15:18:02 +0000},
        Date-Modified = {2013-07-10 15:18:02 +0000},
        Journal = {J. Molec. Graphics.},
        Number = 3,
        Pages = {136-141},
        Title = {\uppercase{DL\_POLY\_2.0: A} general-purpose parallel molecular dynamics simulation package},
        Volume = 14,
        Year = 1996}

@article{Smith98,
        Author = {W. Smith},
        Date-Added = {2013-07-10 15:18:02 +0000},
        Date-Modified = {2013-07-10 15:18:02 +0000},
        Journal = {CCP5 Information Quarterly},
        Pages = {18-30},
        Title = {Point multipoles in the \uppercase{E}wald summation (Revisited)},
        Volume = {46},
        Year = {1998}}

@article{Meineke05,
        Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
        Date-Added = {2013-07-10 15:17:35 +0000},
        Date-Modified = {2013-07-10 15:17:35 +0000},
        Journal = {J. Comp. Chem.},
        Pages = {252-271},
        Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
        Volume = 26,
        Year = 2005}

@article{Fennell06,
        Author = {C.~J. Fennell and J.~D. Gezelter},
        Date-Added = {2013-07-10 15:17:31 +0000},
        Date-Modified = {2013-07-10 15:17:31 +0000},
        Doi = {10.1063/1.2206581},
        Journal = {J. Chem. Phys.},
        Number = {23},
        Pages = {234104(12)},
        Rating = {5},
        Read = {Yes},
        Title = {Is the \uppercase{E}wald summation still necessary? \uppercase{P}airwise alternatives to the accepted standard for long-range electrostatics},
        Volume = {124},
        Year = {2006},
        Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2206581}}

@article{Wolf99,
        Author = {D. Wolf and P. Keblinski and S.~R. Phillpot and J. Eggebrecht},
        Date-Added = {2013-07-10 15:17:24 +0000},
        Date-Modified = {2013-07-10 15:17:24 +0000},
        Journal = {J. Chem. Phys.},
        Number = {17},
        Pages = {8254-8282},
        Rating = {0},
        Read = {No},
        Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise $r^{-1}$ summation},
        Volume = {110},
        Year = {1999}}

@article{Zahn02,
        Author = {D. Zahn and B. Schilling and S.~M. Kast},
        Date-Added = {2013-07-10 15:17:24 +0000},
        Date-Modified = {2013-07-10 15:17:24 +0000},
        Journal = {J. Phys. Chem. B},
        Number = {41},
        Pages = {10725-10732},
        Title = {Enhancement of the \uppercase{W}olf Damped Coulomb Potential: $\mbox{S}$tatic, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation},
        Volume = {106},
        Year = {2002}}

@article{Ma05,
        Author = {Y. Ma and S.~H. Garofalini},
        Date-Added = {2013-07-10 15:17:24 +0000},
        Date-Modified = {2013-07-10 15:17:24 +0000},
        Journal = {Mol. Simul.},
        Number = 11,
        Pages = {739-748},
        Title = {Modified Wolf electrostatic summation: Incorporating an empirical charge overlap},
        Volume = 31,
        Year = 2005}
Revision:	3912
Committed:	Thu Jul 11 14:17:40 2013 UTC (10 years, 11 months ago) by gezelter
File size:	4354 byte(s)
Log Message:	Edits for factor of 1/2 in reciprocal space portion.
#	User	Rev	Content
1	gezelter	3908	%% This BibTeX bibliography file was created using BibDesk.
2			%% http://bibdesk.sourceforge.net/
3
4
5			%% Created for Dan Gezelter at 2013-07-10 11:24:29 -0400
6
7
8			%% Saved with string encoding Unicode (UTF-8)
9
10
11
12			@article{Aguado03,
13			Author = {A. Aguado and P.~A. Madden},
14			Date-Added = {2013-07-10 15:18:11 +0000},
15			Date-Modified = {2013-07-10 15:18:11 +0000},
16			Doi = {10.1063/1.1605941},
17			Journal = {J. Chem. Phys.},
18			Number = {14},
19			Pages = {7471-7483},
20			Title = {Ewald summation of electrostatic multipole interactions up to the quadrupolar level},
21			Volume = {119},
22			Year = {2003},
23			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1605941}}
24
25			@article{deLeeuw80,
26			Author = {S.~W. {de Leeuw} and J.~W. Perram and E.~R. Smith},
27			Date-Added = {2013-07-10 15:18:02 +0000},
28			Date-Modified = {2013-07-10 15:18:02 +0000},
29			Journal = {Proc. R. Soc. London Ser. A},
30			Number = {1752},
31			Pages = {27-56},
32			Title = {Simulation of Electostatic Systems in Periodic Boundary Conditions. \uppercase{I. L}attice Sums and Dielectric Constants},
33			Volume = {373},
34			Year = {1980}}
35
36			@article{Smith81,
37			Author = {E.~R. Smith},
38			Date-Added = {2013-07-10 15:18:02 +0000},
39			Date-Modified = {2013-07-10 15:18:02 +0000},
40			Journal = {Proc. R. Soc. London Ser. A},
41			Pages = {475-505},
42			Title = {Electrostatic Energy in Ionic Crystals},
43			Volume = {375},
44			Year = {1981}}
45
46			@article{Smith82,
47			Author = {W. Smith},
48			Date-Added = {2013-07-10 15:18:02 +0000},
49			Date-Modified = {2013-07-10 15:24:21 +0000},
50	gezelter	3912	Journal = {CCP5 Information quarterly},
51	gezelter	3908	Pages = {13-25},
52			Title = {Point multipoles in the \uppercase{E}wald summation},
53			Volume = 4,
54			Year = 1982}
55
56			@article{Smith96,
57			Author = {W. Smith and T. Forester},
58			Date-Added = {2013-07-10 15:18:02 +0000},
59			Date-Modified = {2013-07-10 15:18:02 +0000},
60			Journal = {J. Molec. Graphics.},
61			Number = 3,
62			Pages = {136-141},
63			Title = {\uppercase{DL\_POLY\_2.0: A} general-purpose parallel molecular dynamics simulation package},
64			Volume = 14,
65			Year = 1996}
66
67			@article{Smith98,
68			Author = {W. Smith},
69			Date-Added = {2013-07-10 15:18:02 +0000},
70			Date-Modified = {2013-07-10 15:18:02 +0000},
71			Journal = {CCP5 Information Quarterly},
72			Pages = {18-30},
73			Title = {Point multipoles in the \uppercase{E}wald summation (Revisited)},
74			Volume = {46},
75			Year = {1998}}
76
77			@article{Meineke05,
78			Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
79			Date-Added = {2013-07-10 15:17:35 +0000},
80			Date-Modified = {2013-07-10 15:17:35 +0000},
81	gezelter	3912	Journal = {J. Comp. Chem.},
82	gezelter	3908	Pages = {252-271},
83			Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
84			Volume = 26,
85			Year = 2005}
86
87			@article{Fennell06,
88			Author = {C.~J. Fennell and J.~D. Gezelter},
89			Date-Added = {2013-07-10 15:17:31 +0000},
90			Date-Modified = {2013-07-10 15:17:31 +0000},
91			Doi = {10.1063/1.2206581},
92			Journal = {J. Chem. Phys.},
93			Number = {23},
94			Pages = {234104(12)},
95			Rating = {5},
96			Read = {Yes},
97			Title = {Is the \uppercase{E}wald summation still necessary? \uppercase{P}airwise alternatives to the accepted standard for long-range electrostatics},
98			Volume = {124},
99			Year = {2006},
100			Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2206581}}
101
102			@article{Wolf99,
103			Author = {D. Wolf and P. Keblinski and S.~R. Phillpot and J. Eggebrecht},
104			Date-Added = {2013-07-10 15:17:24 +0000},
105			Date-Modified = {2013-07-10 15:17:24 +0000},
106			Journal = {J. Chem. Phys.},
107			Number = {17},
108			Pages = {8254-8282},
109			Rating = {0},
110			Read = {No},
111			Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise $r^{-1}$ summation},
112			Volume = {110},
113			Year = {1999}}
114
115			@article{Zahn02,
116			Author = {D. Zahn and B. Schilling and S.~M. Kast},
117			Date-Added = {2013-07-10 15:17:24 +0000},
118			Date-Modified = {2013-07-10 15:17:24 +0000},
119	gezelter	3912	Journal = {J. Phys. Chem. B},
120	gezelter	3908	Number = {41},
121			Pages = {10725-10732},
122			Title = {Enhancement of the \uppercase{W}olf Damped Coulomb Potential: $\mbox{S}$tatic, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation},
123			Volume = {106},
124			Year = {2002}}
125
126			@article{Ma05,
127			Author = {Y. Ma and S.~H. Garofalini},
128			Date-Added = {2013-07-10 15:17:24 +0000},
129			Date-Modified = {2013-07-10 15:17:24 +0000},
130			Journal = {Mol. Simul.},
131			Number = 11,
132			Pages = {739-748},
133			Title = {Modified Wolf electrostatic summation: Incorporating an empirical charge overlap},
134			Volume = 31,
135			Year = 2005}