Frozen‐density embedding‐based many‐body expansions.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26228
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- Article
Works matching IS 00207608 AND DT 2020 AND VI 120 AND IP 21
Results: 14
1
2
Analysis of environment response effects on excitation energies within subsystem‐based time‐dependent density‐functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26213
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- Article
3
Embedded, graph‐theoretically defined many‐body approximations for wavefunction‐in‐DFT and DFT‐in‐DFT: Applications to gas‐ and condensed‐phase ab initio molecular dynamics, and potential surfaces for quantum nuclear effects
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26244
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- Publication type:
- Article
4
Many‐body response of benzene at monolayer MoS<sub>2</sub>: Van der Waals interactions and spectral broadening.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26243
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- Publication type:
- Article
5
Investigating solvent effects on the magnetic properties of molybdate ions (MoO42−) with relativistic embedding.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26207
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- Publication type:
- Article
6
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26497
- Publication type:
- Article
7
Cover Image, Volume 120, Issue 21.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26496
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- Publication type:
- Article
8
Quantum embedding electronic structure methods.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26495
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- Publication type:
- Article
9
Wavelength‐decomposition‐based embedded cluster density approximation for systems with nonlocal electron correlation.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26347
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- Article
10
Multiscale electrostatic embedding simulations for modeling structure and dynamics of molecules in solution: A tutorial review.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26343
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- Article
11
Virial relations in density embedding.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26204
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- Article
12
N‐centered ensemble density‐functional theory for open systems.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26190
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- Publication type:
- Article
13
Quantum embedding for material chemistry based on domain separation and open subsystems.
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26184
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- Publication type:
- Article
14
Is it worthwhile to go beyond the local‐density approximation in subsystem density functional theory?
- Published in:
- International Journal of Quantum Chemistry, 2020, v. 120, n. 21, p. 1, doi. 10.1002/qua.26111
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- Publication type:
- Article