.

Roman Korol1, Xinxian Chen1, Ignacio Franco1,2

  • 1Department of Chemistry, University of Rochester, Rochester, New York 14627, United States.

概括

准确建模开放量子系统需要精确的光谱密度 (SD). 捕捉完整的SD大小对于可靠的脱凝动态至关重要,特别是对于电子放松率.

相关概念视频

Aliasing01:18

Aliasing

Accurate signal sampling and reconstruction are crucial in various signal-processing applications. A time-domain signal's spectrum can be revealed using its Fourier transform. When this signal is sampled at a specific frequency, it results in multiple scaled replicas of the original spectrum in the frequency domain. The spacing of these replicas is determined by the sampling frequency.
If the sampling frequency is below the Nyquist rate, these replicas overlap, preventing the original...
103
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
937
IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the...
666
Bandpass Sampling01:17

Bandpass Sampling

In signal processing, bandpass sampling is an effective technique for sampling signals that have most of their energy concentrated within a narrow frequency band. This type of signal is known as a bandpass signal. The key principle of bandpass sampling involves sampling the signal at a rate that is greater than twice the signal's bandwidth to prevent aliasing.
A bandpass signal has a spectrum with a lower frequency limit, denoted as ω1, and an upper frequency limit, denoted as ω2....
147
Basic signals of Fourier Transform01:07

Basic signals of Fourier Transform

The Fourier Transform is a pivotal mathematical tool in signal processing, enabling the transformation of time-domain signals into their frequency-domain representations. Among the numerous elements within this domain, certain functions like the sinc function, delta function, and exponential signals hold significant importance due to their unique properties and implications.
The sinc function, defined as sinc(x) = sin(πx)/(πx), is particularly notable for its symmetry and behavior at...
454
Discrete Fourier Transform01:15

Discrete Fourier Transform

The Discrete Fourier Transform (DFT) is a fundamental tool in signal processing, extending the discrete-time Fourier transform by evaluating discrete signals at uniformly spaced frequency intervals. This transformation converts a finite sequence of time-domain samples into frequency components, each representing complex sinusoids ordered by frequency. The DFT translates these sequences into the frequency domain, effectively indicating the magnitude and phase of each frequency component present...
194