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Yang Guo
Yang Guo
Qitcs, Shandong University, Qingdao, China
Verified email at sdu.edu.cn
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Year
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method …
Y Guo, C Riplinger, U Becker, DG Liakos, Y Minenkov, L Cavallo, ...
The Journal of chemical physics 148 (1), 011101, 2018
2872018
SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron …
Y Guo, K Sivalingam, EF Valeev, F Neese
The Journal of chemical physics 144 (9), 094111, 2016
1342016
Comprehensive benchmark results for the domain based local pair natural orbital coupled cluster method (DLPNO-CCSD (T)) for closed-and open-shell systems
DG Liakos, Y Guo, F Neese
The Journal of Physical Chemistry A 124 (1), 90-100, 2019
1082019
Aggregation-induced fluorescence emission properties of dicyanomethylene-1, 4-dihydropyridine derivatives
H Li, Y Guo, G Li, H Xiao, Y Lei, X Huang, J Chen, H Wu, J Ding, Y Cheng
The Journal of Physical Chemistry C 119 (12), 6737-6748, 2015
802015
Multi-stimulus-responsive fluorescent properties of donor-π-acceptor indene-1, 3-dionemethylene-1, 4-dihydropyridine derivatives
Y Lei, Y Liu, Y Guo, J Chen, X Huang, W Gao, L Qian, H Wu, M Liu, ...
The Journal of Physical Chemistry C 119 (40), 23138-23148, 2015
732015
A refined cluster-in-molecule local correlation approach for predicting the relative energies of large systems
W Li, Y Guo, S Li
Physical Chemistry Chemical Physics 14 (21), 7854-7862, 2012
522012
Mechanochromic and acidochromic response of 4H-pyran derivatives with aggregation-induced emission properties
Y Zhou, Y Liu, Y Guo, M Liu, J Chen, X Huang, W Gao, J Ding, Y Cheng, ...
Dyes and Pigments 141, 428-440, 2017
392017
Comparison and combination of “direct” and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled …
Y Guo, U Becker, F Neese
The Journal of chemical physics 148 (12), 124117, 2018
372018
Improved cluster-in-molecule local correlation approach for electron correlation calculation of large systems
Y Guo, W Li, S Li
The Journal of Physical Chemistry A 118 (39), 8996-9004, 2014
372014
Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics
BM Flöser, Y Guo, C Riplinger, F Tuczek, F Neese
Journal of Chemical Theory and Computation 16 (4), 2224-2235, 2020
352020
BDF: A relativistic electronic structure program package
Y Zhang, B Suo, Z Wang, N Zhang, Z Li, Y Lei, W Zou, J Gao, D Peng, ...
The Journal of Chemical Physics 152 (6), 064113, 2020
332020
Piezochromism, acidochromism, solvent-induced emission changes and cell imaging of D-π-A 1, 4-dihydropyridine derivatives with aggregation-induced emission properties
Y Lei, D Yang, H Hua, C Dai, L Wang, M Liu, X Huang, Y Guo, Y Cheng, ...
Dyes and Pigments 133, 261-272, 2016
322016
Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD (T0/T)]
Y Guo, C Riplinger, DG Liakos, U Becker, M Saitow, F Neese
The Journal of Chemical Physics 152 (2), 024116, 2020
272020
D-π-A benzo [c][1, 2, 5] selenadiazole-based derivatives via an ethynyl bridge: photophysical properties, solvatochromism and applications as fluorescent sensors
H Li, Y Guo, Y Lei, W Gao, M Liu, J Chen, Y Hu, X Huang, H Wu
Dyes and Pigments 112, 105-115, 2015
262015
An efficient linear scaling procedure for constructing localized orbitals of large molecules based on the one-particle density matrix
Y Guo, W Li, S Li
The Journal of chemical physics 135 (13), 134107, 2011
192011
Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12)
Y Guo, K Sivalingam, EF Valeev, F Neese
The Journal of Chemical Physics 147, 064110, 2017
162017
Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large Systems
Z Ni, Y Guo, F Neese, W Li, S Li
Journal of Chemical Theory and Computation 17 (2), 756-766, 2021
112021
The relative energies of polypeptide conformers predicted by linear scaling second-order Møller-Plesset perturbation theory
Y Guo, W Li, DD Yuan, SH Li
Science China Chemistry 57 (10), 1393-1398, 2014
112014
Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). I. Revisiting the NEVPT2 construction
Y Guo, K Sivalingam, F Neese
The Journal of Chemical Physics 154 (21), 214111, 2021
82021
Efficient Implementation of Local Excitation Approximation for Treating Excited States of Molecules in Condensed Phase
C Zhang, D Yuan, Y Guo, S Li
Journal of chemical theory and computation 10 (12), 5308-5317, 2014
72014
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