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- Emilie B Guidez, Christine M Aikens
- Nanoscale
- 2012

The excitation spectra of linear atomic chains of silver and gold with various sizes have been calculated using time-dependent density functional theory. Silver chains show longitudinal andâ€¦ (More)

- Emilie B Guidez, Christine M Aikens
- Physical chemistry chemical physics : PCCP
- 2014

Dipole plasmon resonances are described quantum mechanically using configuration interaction (CI). A fictitious system of three interacting configurations is considered, which yields three excitedâ€¦ (More)

- Emilie B Guidez, Christine M Aikens
- Physical chemistry chemical physics : PCCP
- 2012

The complex surface structure of gold-thiolate nanoparticles is known to affect the calculated density functional theory (DFT) excitation spectra. However, as the nanoparticle size increases, itâ€¦ (More)

The modeling of dispersion interactions in density functional theory (DFT) is commonly performed using an energy correction that involves empirically fitted parameters for all atom pairs of theâ€¦ (More)

The dispersion interaction energy may be expressed as a sum over Râˆ’n terms, with n â‰¥ 6. Most implementations of the dispersion interaction in model potentials are terminated at n = 6. Thoseâ€¦ (More)

- Emilie B Guidez, Peng Xu, Mark S. Gordon
- The journal of physical chemistry. A
- 2016

The dispersion interaction energy may be expressed as a sum over R(-n) terms, with n â‰¥ 6. Most implementations of the dispersion interaction in model potentials are terminated at n = 6. Thoseâ€¦ (More)

- Emilie B Guidez, Mark S. Gordon
- The journal of physical chemistry. A
- 2017

The importance of dispersion forces in water clusters is examined using the effective fragment potential (EFP) method. Since the original EFP1 water potential does not include dispersion, aâ€¦ (More)

- Feizhi Ding, Emilie B Guidez, Christine M Aikens, Xiaosong Li
- The Journal of chemical physics
- 2014

A plasmon-like phenomenon, arising from coinciding resonant excitations of different electronic characteristics in 1D silver nanowires, has been proposed based on theoretical linear absorptionâ€¦ (More)

- Emilie B Guidez, Christine M Aikens
- Nanoscale
- 2014

The surface plasmon resonance (SPR) of noble metal nanoparticles is reviewed in terms of both classical and quantum mechanical approaches. The collective oscillation of the free electrons responsibleâ€¦ (More)

- Emilie B Guidez, Christine M Aikens
- The journal of physical chemistry. A
- 2015

The origin of the emission of the gold phosphine thiolate complex (TPA)AuSCH(CH3)2 (TPA = 1,3,5-triaza-7-phosphaadamantanetriylphosphine) is investigated using time-dependent density functionalâ€¦ (More)