correlation energy

简明释义

相关能量

英英释义

例句

1.Researchers often use post-Hartree-Fock methods to calculate correlation energy more accurately.

研究人员通常使用后哈特里-福克方法来更准确地计算相关能。

2.The correlation energy is crucial for accurately predicting molecular properties in computational chemistry.

相关能对于准确预测计算化学中的分子性质至关重要。

3.Many methods in quantum mechanics aim to improve the estimation of correlation energy to enhance the precision of calculations.

量子力学中的许多方法旨在改善相关能的估算，以提高计算的精确性。

4.In quantum chemistry, the term correlation energy refers to the energy difference between the exact solution of the Schrödinger equation and the energy calculated using a mean-field approximation.

在量子化学中，相关能一词指的是薛定谔方程的精确解与使用平均场近似计算的能量之间的能量差。

5.The Hartree-Fock method neglects correlation energy, which can lead to significant errors in certain systems.

哈特里-福克方法忽略了相关能，这在某些系统中可能导致显著的误差。

作文

In the field of quantum mechanics and many-body physics, understanding the interactions between particles is crucial for predicting the properties of matter. One important concept that arises in this context is correlation energy, which refers to the energy associated with the correlation between the positions and momenta of particles in a system. Unlike classical systems, where particles can be treated independently, quantum systems exhibit complex interdependencies that must be taken into account to accurately describe their behavior.The significance of correlation energy becomes evident when we consider the limitations of mean-field theories, such as Hartree-Fock. These theories simplify the many-body problem by averaging the effects of all particles on a single particle, neglecting the intricate correlations that exist between them. As a result, they often fail to capture the true ground state energy of a system. The missing energy due to these neglected correlations is what we refer to as correlation energy.To delve deeper into this concept, let us consider a simple example: a system of electrons in an atom. In a mean-field approach, we might treat each electron as moving in an average potential created by all other electrons. However, this treatment overlooks the fact that electrons are indistinguishable and experience mutual repulsion. The correlation energy accounts for the additional energy required to properly describe the interactions between electrons, leading to a more accurate representation of the atomic structure.Calculating correlation energy is a challenging task, as it requires sophisticated mathematical techniques and computational resources. Methods such as configuration interaction (CI) and coupled-cluster theory have been developed to address this challenge. These methods systematically include the effects of particle correlations and provide a way to compute the correlation energy more accurately. By incorporating these corrections, physicists and chemists can obtain better estimates of molecular energies, reaction rates, and other critical properties.Moreover, the concept of correlation energy is not limited to atomic systems; it also plays a vital role in condensed matter physics. In materials science, understanding the correlation effects in electron systems is essential for explaining phenomena such as superconductivity and magnetism. The interplay of electron correlations can lead to emergent behaviors that cannot be understood through non-correlated models.In summary, correlation energy is a fundamental aspect of quantum many-body systems that reflects the importance of particle interactions. By recognizing and accounting for these correlations, researchers can achieve a deeper understanding of physical systems, leading to advancements in both theoretical and experimental physics. As our computational capabilities continue to improve, we can expect to see even more precise calculations of correlation energy, paving the way for new discoveries in various fields of science and technology.In conclusion, the study of correlation energy highlights the complexity and richness of quantum systems. It serves as a reminder that the whole is often greater than the sum of its parts, and that understanding the subtle interconnections between particles is essential for unlocking the secrets of the universe. As we continue to explore these intricate relationships, we will undoubtedly uncover new insights that will enhance our comprehension of the natural world and inspire future innovations.

在量子力学和多体物理学领域，理解粒子之间的相互作用对于预测物质的性质至关重要。一个重要的概念是关联能量，它指的是与系统中粒子的位置和动量之间的相关性相关的能量。与经典系统不同，在经典系统中，粒子可以被视为独立的，量子系统表现出复杂的相互依赖性，必须考虑这些因素以准确描述其行为。关联能量的重要性在我们考虑均场理论（如哈特里-福克）局限性时变得明显。这些理论通过对所有粒子对单个粒子的影响进行平均，简化了多体问题，忽略了它们之间存在的复杂相关性。因此，它们往往无法捕捉到系统的真实基态能量。由于这些被忽略的相关性所造成的缺失能量正是我们所称的关联能量。为了更深入地探讨这一概念，让我们考虑一个简单的例子：原子中的电子系统。在均场方法中，我们可能会将每个电子视为在所有其他电子产生的平均势场中运动。然而，这种处理忽视了电子是不可区分的并且相互排斥的事实。关联能量考虑了正确描述电子之间相互作用所需的额外能量，从而导致对原子结构的更准确表示。计算关联能量是一项具有挑战性的任务，因为它需要复杂的数学技术和计算资源。配置相互作用（CI）和耦合簇理论等方法已被开发出来以应对这一挑战。这些方法系统地纳入粒子相关性的影响，并提供了一种更准确计算关联能量的方法。通过纳入这些修正，物理学家和化学家可以获得对分子能量、反应速率和其他关键属性的更好估计。此外，关联能量的概念不仅限于原子系统；它在凝聚态物理学中也发挥着重要作用。在材料科学中，理解电子系统中的相关效应对于解释超导性和磁性等现象至关重要。电子相关性的相互作用可能导致无法通过非相关模型理解的涌现行为。总之，关联能量是量子多体系统的一个基本方面，反映了粒子相互作用的重要性。通过认识并考虑这些相关性，研究人员可以更深入地理解物理系统，从而推动理论和实验物理学的发展。随着我们的计算能力不断提高，我们可以期待看到对关联能量的更精确计算，为科学和技术的各个领域的新发现铺平道路。最后，关联能量的研究突显了量子系统的复杂性和丰富性。它提醒我们整体往往大于部分之和，理解粒子之间的微妙相互联系对于揭示宇宙的奥秘至关重要。随着我们继续探索这些复杂关系，我们无疑会发现新的见解，这将增强我们对自然世界的理解，并激励未来的创新。