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. 2012 Oct 18;68(Pt 11):1513–1521. doi: 10.1107/S0907444912037638

Table 1. Dynamic first hyperpolarizability for NMA at 1000 nm.

Values are in atomic units. Elements with magnitudes of less than 1.3 atomic units were omitted for clarity.

Element Value
βxxx 43.0
βxxy, βxyx 39.0
βxyy 21.6
βxzz −5.4
βyxx 39.6
βyxy, βyyx 22.8
βyyy −58.6
βyzz −11.5
βzxz, βzzx −5.4
βzyz, βzzy −11.2