tarazkar_2014b

M. Tarazkar, D. A. Romanov and R. J. Levis, “Higher-order nonlinearity of refractive index: The case of argon”, J. Chem. Phys. 140, 214316 (2014)

Source record · Catalogue · Review register

DOI: 10.1063/1.4880716

Source kind: theory

Recorded technique: CCSD/t-aug-cc-pV5Z cubic response (DALTON) of Ar with an auxiliary static field, quadratic fits in the field giving the fourth-order (fifth-order response) hyperpolarizabilities; approximate relations between processes from Bishop’s and Hattig’s frequency expansions.

Materials in structured entries: None recorded.

Dataset quantities: None recorded.

Contents: 0 datasets; 0 formulas.

Curation notes

Pdf page 1 is the publisher’s cover; the article is pdf pages 2-10 (pages 214316-1 to -9). Argon only.

NOTHING IS EXTRACTED: the conventional gamma (their gamma^(2)) of Ar appears only in Fig. 1 (DFWM dispersion) and in the supplementary Table S2 (not in the library); the tables give only the fourth-order gamma^(4) (Tables I-III), which has no vocabulary quantity (higher-order Kerr: notes only). Convention as tarazkar_2014 (the same Eqs. 1, 4: T).

RELATIONS FOR THE KERR COEFFICIENT (pdf pages 7-8). Eq. (19): gamma^(2)(-w; w, -w, w) ~ (1/3) gamma^(2)(-2w; w, w, 0) + gamma^(2)(-w; w, 0, 0) - (1/3) gamma^(2)(0; 0, 0, 0), the DFWM (Kerr) gamma from ESHG, dc Kerr and static values; it reproduces the quadratic term of the Bishop expansion exactly (Eqs. 20-23) and agrees with direct CCSD DFWM values of Ar to 0.2-3 % at 400-300 nm (better at longer wavelengths). The formula used by Wahlstrand et al. (Ref. 21, their Eq. 13), gamma_DFWM(w) = gamma_ESHG(w) [gamma_ESHG(0) / gamma_ESHG(w)]^(2/3), deviates by 9.3 %, 14 % and 24 % at 500, 400 and 300 nm: ‘the exponent ... should be 1/3 rather than 2/3’ (pdf page 8). (This bears on the wahlstrand_2012 records.)

HIGHER ORDER (notes only): the DSWM coefficient of Ar (Table III, 10^6 a.u.): 16.514 +- 0.500 (300 nm) ... 2.607 +- 0.027 (800 nm) ... 2.133 +- 0.020 (2000 nm); n4 (cm^4/W^2) = 4.02 x 10^-40 gamma^(4)_DSWM (a.u.) (Eq. 24); ‘In the infrared limit ... n4 = 8.25 x 10^-10 cm^4/TW^2’ (the library’s text renders the argument as ‘w -> infinity’; the equation image was not checked), against the Kramers-Kronig 2 x 10^-12 and Loriot et al.’s -0.36 +- 1.03 x 10^-9 cm^4/TW^2: n4 of Ar is positive at 300-2000 nm (pdf page 9).

Recorded bibliographic identity status: VALIDATED. This concerns identification of the source; it does not establish the scientific correctness of its contents.

Datasets

No datasets are recorded.

Formulas

No formulas are recorded.

Corrections

No dataset errata are recorded in this source record.

Formula corrections, where recorded, appear with their formulas above. Curation notes may also discuss corrections or unresolved interpretation. Consult the review register for the checks and decisions.