Optimized attenuated interaction: Enabling stochastic Bethe-Salpeter spectra for large systems.
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[1] Samia M. Hamed,et al. An optimally tuned range-separated hybrid starting point for ab initio GW plus Bethe-Salpeter equation calculations of molecules. , 2022, The Journal of chemical physics.
[2] L. Visscher,et al. Quasiparticle Self-Consistent GW-Bethe–Salpeter Equation Calculations for Large Chromophoric Systems , 2022, Journal of chemical theory and computation.
[3] Justin R. Caram,et al. Bethe-Salpeter equation spectra for very large systems. , 2022, The Journal of chemical physics.
[4] C. Voisin,et al. Vibronic effect and influence of aggregation on the photophysics of graphene quantum dots. , 2022, Nanoscale.
[5] R. Baer,et al. Stochastic Vector Techniques in Ground-State Electronic Structure. , 2022, Annual review of physical chemistry.
[6] L. Visscher,et al. Low-Order Scaling Quasiparticle Self-Consistent GW for Molecules , 2021, Frontiers in Chemistry.
[7] Daniel S. Levine,et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package , 2021, The Journal of chemical physics.
[8] Mariya Romanova,et al. Stochastic many-body calculations of moiré states in twisted bilayer graphene at high pressures , 2021, npj Computational Materials.
[9] H. Bettinger,et al. Pushing the Limits of Acene Chemistry: The Recent Surge of Large Acenes , 2020, Chemistry.
[10] X. Blase,et al. Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation. , 2020, The Journal of chemical physics.
[11] X. Blase,et al. The Bethe-Salpeter Equation Formalism: From Physics to Chemistry. , 2020, The journal of physical chemistry letters.
[12] A. Görling,et al. Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring‐in‐Ring and Fullerene‐in‐Ring Complexes by (Matrix‐Assisted) Laser Desorption/Ionization and Density Functional Theory , 2020, Chemistry.
[13] B. Dunietz,et al. Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT. , 2020, Journal of chemical theory and computation.
[14] Jochen A. H. Dreyer,et al. Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons. , 2019, Physical chemistry chemical physics : PCCP.
[15] M Marsili,et al. Many-body perturbation theory calculations using the yambo code , 2019, Journal of physics. Condensed matter : an Institute of Physics journal.
[16] Ivan Duchemin,et al. Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA. , 2019, The Journal of chemical physics.
[17] B. Meyer,et al. Concave-Convex π-π Template Approach Enables the Synthesis of [10]Cycloparaphenylene-Fullerene [2]Rotaxanes. , 2018, Journal of the American Chemical Society.
[18] R. Baer,et al. Swift GW beyond 10,000 electrons using sparse stochastic compression , 2018, Physical Review B.
[19] W. Klopper,et al. Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe-Salpeter Formalism. , 2018, Journal of chemical theory and computation.
[20] D. Neuhauser,et al. Quasiparticle spectra from molecules to bulk with stochastic many-body methods , 2017, 1708.03848.
[21] G. Cuniberti,et al. Imaging the electronic structure of on-surface generated hexacene. , 2017, Chemical communications.
[22] R. Baer,et al. Simple eigenvalue-self-consistent Δ ¯ G W 0 . , 2017, The Journal of chemical physics.
[23] E. Davidson,et al. Nature of ground and electronic excited states of higher acenes , 2016, Proceedings of the National Academy of Sciences.
[24] Luís M. N. B. F. Santos,et al. Optical band gaps of organic semiconductor materials , 2016 .
[25] R. Baer,et al. Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory. , 2015, The journal of physical chemistry. A.
[26] J. Toulouse,et al. Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel. , 2015, The Journal of chemical physics.
[27] Mathias P. Ljungberg,et al. Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems , 2015, 1505.05440.
[28] R. Baer,et al. Time-dependent Stochastic Bethe-Salpeter Approach , 2015, 1502.02784.
[29] R. Baer,et al. Sublinear scaling for time-dependent stochastic density functional theory. , 2014, The Journal of chemical physics.
[30] Eran Rabani,et al. Communication: Embedded fragment stochastic density functional theory. , 2014, The Journal of chemical physics.
[31] R. Baer,et al. Breaking the theoretical scaling limit for predicting quasiparticle energies: the stochastic GW approach. , 2014, Physical review letters.
[32] Álvaro Vázquez-Mayagoitia,et al. Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations. , 2012, The Journal of chemical physics.
[33] Denis Andrienko,et al. Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green's Functions Theory. , 2012, Journal of chemical theory and computation.
[34] Y. Ping,et al. Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems , 2012 .
[35] David A. Strubbe,et al. BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures , 2011, Comput. Phys. Commun..
[36] Á. Rubio,et al. Assessment of dressed time-dependent density-functional theory for the low-lying valence states of 28 organic chromophores , 2010, 1101.0291.
[37] H. Bettinger,et al. Photogeneration of octacene and nonacene. , 2010, Angewandte Chemie.
[38] Yuchen Ma,et al. Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening , 2009 .
[39] H. Bettinger,et al. Synthesis, stability, and photochemistry of pentacene, hexacene, and heptacene: a matrix isolation study. , 2009, Journal of the American Chemical Society.
[40] G. Schatz. The journal of physical chemistry letters , 2009 .
[41] L. Reining,et al. Double excitations in finite systems. , 2009, The Journal of chemical physics.
[42] T. Henning,et al. IR, Raman, and UV/Vis spectra of corannulene for use in possible interstellar identification. , 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.
[43] F. Fuchs,et al. Efficient O(N 2 ) approach to solve the Bethe-Salpeter equation for excitonic bound states , 2008, 0805.0659.
[44] E. Gross,et al. Exact coulomb cutoff technique for supercell calculations , 2006, cond-mat/0601031.
[45] Roi Baer,et al. Efficient linear-response method circumventing the exchange-correlation kernel: theory for molecular conductance under finite bias. , 2005, The Journal of chemical physics.
[46] G. Wellein,et al. The kernel polynomial method , 2005, cond-mat/0504627.
[47] Jorge M. Pacheco,et al. First-principles norm-conserving pseudopotential with explicit incorporation of semicore states , 2003 .
[48] Mark E. Tuckerman,et al. A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters , 1999 .
[49] Andreoni,et al. Ab initio calculations of the quasiparticle and absorption spectra of clusters: The sodium tetramer. , 1995, Physical review letters.
[50] V. Mandelshtam,et al. Calculation of the density of resonance states using the stabilization method. , 1993, Physical review letters.
[51] R. Kremer,et al. The energy gaps of fullerene C60 and C70 determined from the temperature dependent microwave conductivity , 1993 .
[52] R. W. Lof,et al. Band gap, excitons, and Coulomb interaction in solid C60. , 1992, Physical review letters.
[53] D. Neuhauser. Bound state eigenfunctions from wave packets: Time→energy resolution , 1990 .
[54] John W. Negele,et al. The mean-field theory of nuclear structure and dynamics , 1982 .
[55] Luigi Cavallo,et al. The Journal of Chemical Physics 144, 134702 (2016) SupInfo , 2016 .
[56] J. Herskowitz,et al. Proceedings of the National Academy of Sciences, USA , 1996, Current Biology.
[57] Physical Review Letters 63 , 1989 .