标题
Embedding potentials for excited states of embedded species
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 18, Pages 18A530
出版商
AIP Publishing
发表日期
2014-04-09
DOI
10.1063/1.4870014
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- State-Specific Embedding Potentials for Excitation-Energy Calculations
- (2013) Csaba Daday et al. Journal of Chemical Theory and Computation
- How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations?
- (2013) Marie Humbert-Droz et al. THEORETICAL CHEMISTRY ACCOUNTS
- Self-consistency in frozen-density embedding theory based calculations
- (2011) Francesco Aquilante et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum mechanical embedding theory based on a unique embedding potential
- (2011) Chen Huang et al. JOURNAL OF CHEMICAL PHYSICS
- Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies
- (2011) Georgios Fradelos et al. Journal of Chemical Theory and Computation
- Embedding theory for excited states
- (2010) Yuriy G. Khait et al. JOURNAL OF CHEMICAL PHYSICS
- Exact nonadditive kinetic potentials for embedded density functional theory
- (2010) Jason D. Goodpaster et al. JOURNAL OF CHEMICAL PHYSICS
- Orbital-free effective embedding potential: Density-matrix functional theory case
- (2009) Katarzyna Pernal et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Linearized orbital-free embedding potential in self-consistent calculations
- (2009) Marcin Dułak et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed
- (2009) John P. Perdew et al. Journal of Chemical Theory and Computation
- Density Functional Partition Theory with Fractional Occupations
- (2009) Peter Elliott et al. Journal of Chemical Theory and Computation
- Chromophore-specific theoretical spectroscopy: From subsystem density functional theory to mode-specific vibrational spectroscopy
- (2009) Johannes Neugebauer PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
- Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory
- (2008) André Severo Pereira Gomes et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Embedding a multideterminantal wave function in an orbital-free environment
- (2008) Tomasz A. Wesołowski PHYSICAL REVIEW A
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