/
ref.bib
299 lines (272 loc) · 10.1 KB
/
ref.bib
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
@Misc{ctx,
author = {Michael F. Herbst},
title = {ctx: Key-value {C++} datastructures for organised hierarchical storage},
month = mar,
year = {2019},
doi = {10.5281/zenodo.2590706},
}
@Book{Fetter1971,
title = {Quantum theory of many-particle systems},
publisher = {McGraw-Hill},
year = {1971},
author = {Fetter, Alexander L.},
address = {San Francisco ; London},
}
@Article{Cederbaum1980,
author = {Cederbaum, L. S. and Domcke, W. and Schirmer, J.},
title = {Many-Body Theory of Core Holes},
journal = {Phys. Rev. A},
year = {1980},
volume = {22},
pages = {206--222},
doi = {10.1103/PhysRevA.22.206},
}
@Article{Davidson1975,
author = {Ernest R. Davidson},
title = {The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices},
journal = {J. Comp. Phys.},
year = {1975},
volume = {17},
number = {1},
pages = {87 - 94},
doi = {10.1016/0021-9991(75)90065-0},
}
@Article{Dreuw2014,
author = {Dreuw, Andreas and Wormit, Michael},
title = {The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states},
journal = {WIREs Comput. Mol. Sci.},
year = {2014},
volume = {5},
number = {1},
pages = {82--95},
doi = {10.1002/wcms.1206},
}
@article{Fransson2019,
author = {Fransson, Thomas and Dreuw, Andreas},
doi = {10.1021/acs.jctc.8b01046},
issue = {1},
journal = {J. Chem. Theory Comput.},
month = {1},
pages = {546--556},
title = {Simulating X-ray Emission Spectroscopy with Algebraic Diagrammatic Construction Schemes for the Polarization Propagator},
volume = {15},
year = {2019},
}
@article{Fransson2017,
title={Static polarizabilities and C6 dispersion coefficients using the algebraic-diagrammatic construction scheme for the complex polarization propagator},
author={Fransson, Thomas and Rehn, Dirk R and Dreuw, Andreas and Norman, Patrick},
journal = {J. Chem. Phys.},
volume={146},
number={9},
pages={094301},
year={2017},
}
@article{Knippenberg2012,
author = {Knippenberg, S. and Rehn, D. R. and Wormit, M. and Starcke, J. H. and Rusakova, I. L. and Trofimov, A. B. and Dreuw, A.},
doi = {10.1063/1.3682324},
issue = {6},
journal = {J. Chem. Phys.},
month = {2},
pages = {064107},
title = {Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: Two-photon absorption spectra},
volume = {136},
year = {2012},
}
@Article{Lefrancois2015,
author = {Lefrancois,Daniel and Wormit,Michael and Dreuw,Andreas},
title = {Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz},
journal = {J. Chem. Phys.},
year = {2015},
volume = {143},
number = {12},
pages = {124107},
doi = {10.1063/1.4931653},
}
@article{Lefrancois2017,
author = {Lefrancois, Daniel and Tuna, Deniz and Mart\'{\i}nez, Todd J. and Dreuw, Andreas},
doi = {10.1021/acs.jctc.7b00634},
issue = {9},
journal = {J. Chem. Theory Comput.},
month = {9},
pages = {4436--4441},
title = {The Spin-Flip Variant of the Algebraic-Diagrammatic Construction Yields the Correct Topology of S1/S0 Conical Intersections},
volume = {13},
year = {2017},
}
@article{Lefrancois2016,
author = {Lefrancois, Daniel and Rehn, Dirk R. and Dreuw, Andreas},
doi = {10.1063/1.4961298},
issue = {8},
journal = {J. Chem. Phys.},
month = {8},
pages = {084102},
title = {Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator},
volume = {145},
year = {2016},
}
@Article{Norman2018,
author = {Norman, P. and Dreuw, A.},
title = {Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules},
journal = {Chem. Rev.},
year = {2018},
volume = {118},
pages = {7208-7248},
doi = {10.1021/acs.chemrev.8b00156},
}
@Article{Rehn2017a,
author = {Rehn, D. R. and Dreuw, A. and Norman, P.},
title = {Resonant Inelastic X-ray Scattering Amplitudes and Cross Section in the Algebraic Diagrammatic Construction/Intermediate State Representation ({ADC/ISR}) Approach},
journal = {J. Chem. Theory Comput.},
year = {2017},
volume = {13},
pages = {5552-5559},
doi = {10.1021/acs.jctc.7b00636},
}
@article{Schirmer1983,
author = {Schirmer, J. and Cederbaum, L. S. and Walter, O.},
doi = {10.1103/physreva.28.1237},
issue = {3},
journal = {Phys. Rev. A},
pages = {1237--1259},
title = {New approach to the one-particle Green's function for finite Fermi systems},
volume = {28},
year = {1983},
}
@article{Schirmer1989,
author = {Schirmer, J. and Angonoa, G.},
doi = {10.1063/1.457081},
issue = {3},
journal = {J. Chem. Phys.},
month = {8},
pages = {1754--1761},
title = {On Green's function calculations of the static self-energy part, the ground state energy and expectation values},
volume = {91},
year = {1989},
}
@article{vonNiessen1984,
author = {von Niessen, W. and Schirmer, J. and Cederbaum, L.S.},
doi = {10.1016/0167-7977(84)90002-9},
issue = {2},
journal = {Comput. Phys. Rep.},
month = {4},
pages = {57--125},
title = {Computational methods for the one-particle green's function},
volume = {1},
year = {1984},
}
@Article{Schirmer1982,
author = {Schirmer, Jochen},
title = {Beyond the random-phase approximation: A new approximation scheme for the polarization propagator},
journal = {Phys. Rev. A},
year = {1982},
volume = {26},
pages = {2395--2416},
month = {Nov},
doi = {10.1103/PhysRevA.26.2395},
issue = {5},
}
@Article{Schirmer1991,
author = {Schirmer, Jochen},
title = {Closed-form intermediate representations of many-body propagators and resolvent matrices},
journal = {Phys. Rev. A},
year = {1991},
volume = {43},
pages = {4647--4659},
month = {May},
doi = {10.1103/PhysRevA.43.4647},
issue = {9},
}
@Article{Trofimov1999,
author = {A. B. Trofimov and G. Stelter and J. Schirmer},
title = {A consistent third-order propagator method for electronic excitation},
journal = {J. Chem. Phys.},
year = {1999},
volume = {111},
number = {22},
pages = {9982-9999},
doi = {10.1063/1.480352},
}
@Article{Schirmer2004,
author = {J. Schirmer and A. B. Trofimov},
title = {Intermediate state representation approach to physical properties of electronically excited molecules},
journal = {J. Chem. Phys.},
year = {2004},
volume = {120},
number = {24},
pages = {11449-11464},
doi = {10.1063/1.1752875},
}
@Article{Trofimov2006,
author = {A.B. Trofimov and I.L. Krivdina and J. Weller and J. Schirmer},
title = {Algebraic-diagrammatic construction propagator approach to molecular response properties},
journal = {Chem. Phys.},
year = {2006},
volume = {329},
number = {1-3},
pages = {1--10},
month = oct,
doi = {10.1016/j.chemphys.2006.07.015},
}
@Book{Schirmer2018,
title = {Many-Body Methods for Atoms, Molecules and Clusters},
publisher = {Springer},
year = {2018},
author = {Jochen Schirmer},
}
@Article{Trofimov2000,
author = {Trofimov, A. B. and Moskovskaya, T. {\'E}. and Gromov, E. V. and Vitkovskaya, N. M. and Schirmer, J.},
title = {Core-Level Electronic Spectra in ADC(2) Approximation for Polarization Propagator: Carbon Monoxide and Nitrogen Molecules},
journal = {J. Struct. Chem.},
year = {2000},
volume = {41},
pages = {483-494},
doi = {10.1007/BF02742009},
}
@Article{Wenzel2014a,
author = {Wenzel, Jan and Wormit, Michael and Dreuw, Andreas},
title = {{Calculating Core-Level Excitations and X-Ray Absorption Spectra of Medium-Sized Closed-Shell Molecules with the Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator}},
journal = {J. Comput. Chem.},
year = {2014},
volume = {35},
pages = {1900--1915},
doi = {10.1002/jcc.23703},
}
@Article{Wenzel2014b,
author = {Wenzel, Jan and Wormit, Michael and Dreuw, Andreas},
title = {{Calculating X-Ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator}},
journal = {J. Chem. Theory Comput.},
year = {2014},
volume = {10},
pages = {4583--4598},
doi = {10.1021/ct5006888},
}
@Article{Wenzel2015,
author = {Wenzel, J. and Holzer, A. and Wormit, M. and Dreuw, A.},
title = {Analysis and Comparison of {CVS-ADC} Approaches up to Third Order for the Calculation of Core-Excited States},
journal = {J. Chem. Phys.},
year = {2015},
volume = {142},
pages = {214104},
doi = {10.1063/1.4921841},
}
@article{Yang2017,
author = {Yang, Chong and Dreuw, Andreas},
doi = {10.1002/jcc.24794},
issue = {17},
journal = {J. Comput. Chem.},
month = {6},
pages = {1528--1537},
title = {Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations},
volume = {38},
year = {2017},
}
@Article{Wormit2014,
author = {Michael Wormit and Dirk R. Rehn and Philipp H.P. Harbach and Jan Wenzel and Caroline M. Krauter and Evgeny Epifanovsky and Andreas Dreuw},
title = {Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator},
journal = {Mol. Phys.},
year = {2014},
volume = {112},
number = {5-6},
pages = {774-784},
doi = {10.1080/00268976.2013.859313},
}