From 0bd4ae7ec2eef9d5ae934ae17317d65b971534bd Mon Sep 17 00:00:00 2001
From: Kostas Vilkelis <kostasvilkelis@gmail.com>
Date: Thu, 22 Feb 2024 23:22:57 +0100
Subject: [PATCH] remove unfinished constant energy terms
---
codes/hf.py | 8 +-------
1 file changed, 1 insertion(+), 7 deletions(-)
diff --git a/codes/hf.py b/codes/hf.py
index 18e9735..be0f8ca 100644
--- a/codes/hf.py
+++ b/codes/hf.py
@@ -104,17 +104,11 @@ def compute_mf(rho, H_int):
local_density = np.diag(np.average(rho, axis=tuple([i for i in range(dim)])))
exchange_mf = convolution(rho, H_int) * nk ** (-dim)
direct_mf = np.diag(np.einsum("i,ij->j", local_density, H0_int))
- dc_direct = local_density.T @ H0_int @ local_density
- dc_exchange = np.einsum('kij, kji', exchange_mf, rho) * nk ** (-dim)
- dc_energy = 0.5*(-dc_exchange + dc_direct) * np.eye(direct_mf.shape[-1])
else:
local_density = np.diag(rho)
exchange_mf = rho * H_int
direct_mf = np.diag(np.einsum("i,ij->j", local_density, H_int))
- dc_energy_direct = np.diag(np.einsum("ij, i, j->", H_int, local_density, local_density))
- dc_energy_cross = np.diag(np.einsum("ij, ij, ji->", H_int, rho, rho))
- dc_energy = 2 * dc_energy_direct - dc_energy_cross
- return direct_mf - exchange_mf# - dc_energy * np.eye(direct_mf.shape[-1])
+ return direct_mf - exchange_mf
def total_energy(h, rho):
"""
--
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